 Entering Gaussian System, Link 0=g16
 Input=17_camphor_STD_M11-def2SVPDr.in
 Output=17_camphor_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
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                 11.124501923            0.44241976651
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            ****
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            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
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            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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                  2.2546815460           0.72619456861
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            P    3   1.00
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                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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                  2.5207180000          -1.0707548832
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
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                 11.547491000            1.5261602829
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
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            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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            S    1   1.00
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                  6.3036410000          -0.56379438345
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                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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            P    4   1.00
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                  6.2456140000          -0.44863071815131
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                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
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            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
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            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/17_camphor_STD/Gau-132103.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/17_camphor_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    132104.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=17_camphor_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 19:34:27 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591340000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529239000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322725000000      0.294255000000
  C                                                 2.280642000000     -0.533766000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019349000000      2.699916000000     -0.943059000000
  H                                                 1.598811000000      1.987373000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413116000000      2.164495000000      0.837905000000
  H                                                 1.274732000000      1.792071000000      1.266719000000
  H                                                -1.431450000000     -1.907859000000     -1.702944000000
  H                                                -0.672824000000     -2.608440000000     -0.282929000000
  H                                                 0.309210000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030031000000     -1.141406000000
  H                                                 2.414644000000     -1.604084000000     -0.357383000000
  H                                                 3.068204000000     -0.208479000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016848000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 19:34:27 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591340    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529239   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322725    0.294255
     10          6           0        2.280642   -0.533766   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019349    2.699916   -0.943059
     15          1           0        1.598811    1.987373   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413116    2.164495    0.837905
     18          1           0        1.274732    1.792071    1.266719
     19          1           0       -1.431450   -1.907859   -1.702944
     20          1           0       -0.672824   -2.608440   -0.282929
     21          1           0        0.309210   -2.221656   -1.704806
     22          1           0        2.441196   -0.030031   -1.141406
     23          1           0        2.414644   -1.604084   -0.357383
     24          1           0        3.068204   -0.208479    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016848   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420697   2.459108   1.553293   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840595   3.747061
     9  O    3.492710   2.449040   3.307611   3.972091   3.562157
    10  C    1.528292   2.594675   2.967938   2.937188   2.584480
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858245   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380180   3.208406   3.224306   2.649541   2.216567
    18  H    2.244830   3.317078   3.404191   2.225131   1.089653
    19  H    3.568178   2.148092   2.861252   4.288723   4.410393
    20  H    2.921617   2.159862   3.533984   4.598837   4.165780
    21  H    2.958960   2.156874   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545519   3.872600   3.524880
    24  H    2.160440   3.527635   3.861802   3.446949   2.876952
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301684   4.583844   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555359   3.821299   0.000000
     9  O    1.204119   2.448180   2.928657   0.000000
    10  C    3.799497   3.829621   3.246706   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725287   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802309
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800725   4.688595
    18  H    3.366345   2.219816   4.728681   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089779   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177869   3.504578   5.230860   1.087645
    23  H    4.250877   4.575230   3.047095   5.197659   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137163   3.453457
    26  H    3.771845   3.400298   4.263278   4.665808   2.746289
    27  H    3.521194   3.886599   3.046882   4.205391   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960268   1.752696   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323473
    17  H    4.018363   4.291942   3.258715   2.347438   3.644671
    18  H    2.932844   4.051859   4.177667   2.698757   2.502228
    19  H    4.174326   3.023530   2.849460   4.890177   4.959994
    20  H    2.927612   3.752943   3.952560   5.393841   5.209150
    21  H    3.647485   2.547622   3.382854   4.988602   4.430245
    22  H    3.454597   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564554   4.960330   3.779622
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545610
    27  H    1.091209   4.585750   5.128536   5.506449   4.967311
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528403   2.747200   0.000000
    19  H    4.869988   4.800033   5.461850   0.000000
    20  H    4.402492   4.958347   5.055579   1.755782   0.000000
    21  H    5.211958   5.354447   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340386   4.133073
    23  H    4.984610   5.502967   3.933316   4.085982   3.247573
    24  H    4.551815   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671069   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805190   4.973578   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574839   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069359   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754259
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850540           1.0991328
 Leave Link  202 at Thu Jul 22 19:34:27 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944666599 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul 22 19:34:28 2021, MaxMem= 17179869184 cpu:               7.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  6.44D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Jul 22 19:34:28 2021, MaxMem= 17179869184 cpu:               4.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 19:34:28 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 19:34:29 2021, MaxMem= 17179869184 cpu:               5.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179582699 LenY= 17179443129
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.296522986000    
 DIIS: error= 3.82D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.296522986000     IErMin= 1 ErrMin= 3.82D-03
 ErrMax= 3.82D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-02 BMatP= 1.77D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.82D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 GapD=    0.410 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.11D-02 MaxDP=1.06D+00              OVMax= 1.92D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.02D-02    CP:  1.16D+00
 E= -465.314747956292     Delta-E=       -0.018224970292 Rises=F Damp=F
 DIIS: error= 1.71D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.314747956292     IErMin= 2 ErrMin= 1.71D-03
 ErrMax= 1.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.84D-04 BMatP= 1.77D-02
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.71D-02
 Coeff-Com: -0.215D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.212D-01 0.102D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.46D-03 MaxDP=2.83D-01 DE=-1.82D-02 OVMax= 1.09D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.33D-03    CP:  1.21D+00  1.16D+00
 E= -465.315164384990     Delta-E=       -0.000416428698 Rises=F Damp=F
 DIIS: error= 1.42D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.315164384990     IErMin= 3 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.43D-04 BMatP= 7.84D-04
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com: -0.599D-01 0.544D+00 0.516D+00
 Coeff-En:   0.000D+00 0.250D+00 0.750D+00
 Coeff:     -0.590D-01 0.540D+00 0.519D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=2.62D-04 MaxDP=2.77D-02 DE=-4.16D-04 OVMax= 5.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.72D-04    CP:  1.21D+00  1.17D+00  9.92D-01
 E= -465.315728471363     Delta-E=       -0.000564086373 Rises=F Damp=F
 DIIS: error= 2.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.315728471363     IErMin= 4 ErrMin= 2.31D-04
 ErrMax= 2.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-05 BMatP= 7.84D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.31D-03
 Coeff-Com: -0.145D-01 0.409D-01 0.153D+00 0.820D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.144D-01 0.408D-01 0.153D+00 0.821D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=6.86D-03 DE=-5.64D-04 OVMax= 9.34D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.58D-05    CP:  1.21D+00  1.18D+00  1.04D+00  9.68D-01
 E= -465.315751866050     Delta-E=       -0.000023394686 Rises=F Damp=F
 DIIS: error= 6.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.315751866050     IErMin= 5 ErrMin= 6.49D-05
 ErrMax= 6.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-06 BMatP= 2.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.138D-02-0.393D-01-0.554D-02 0.273D+00 0.771D+00
 Coeff:      0.138D-02-0.393D-01-0.554D-02 0.273D+00 0.771D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=5.12D-05 MaxDP=4.86D-03 DE=-2.34D-05 OVMax= 3.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.63D-05    CP:  1.22D+00  1.18D+00  1.06D+00  1.03D+00  8.86D-01
 E= -465.315754815817     Delta-E=       -0.000002949768 Rises=F Damp=F
 DIIS: error= 1.18D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.315754815817     IErMin= 6 ErrMin= 1.18D-05
 ErrMax= 1.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-08 BMatP= 2.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-02-0.103D-01-0.108D-01 0.430D-02 0.162D+00 0.854D+00
 Coeff:      0.104D-02-0.103D-01-0.108D-01 0.430D-02 0.162D+00 0.854D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.05D-05 MaxDP=5.77D-04 DE=-2.95D-06 OVMax= 8.56D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.38D-06    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.54D-01
                    CP:  9.80D-01
 E= -465.315754946765     Delta-E=       -0.000000130947 Rises=F Damp=F
 DIIS: error= 2.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.315754946765     IErMin= 7 ErrMin= 2.86D-06
 ErrMax= 2.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.99D-09 BMatP= 9.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-03-0.439D-03-0.246D-02-0.150D-01-0.406D-02 0.208D+00
 Coeff-Com:  0.814D+00
 Coeff:      0.208D-03-0.439D-03-0.246D-02-0.150D-01-0.406D-02 0.208D+00
 Coeff:      0.814D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=2.73D-06 MaxDP=1.30D-04 DE=-1.31D-07 OVMax= 3.24D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.66D-06    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.62D-01
                    CP:  1.03D+00  1.11D+00
 E= -465.315754959635     Delta-E=       -0.000000012870 Rises=F Damp=F
 DIIS: error= 7.92D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.315754959635     IErMin= 8 ErrMin= 7.92D-07
 ErrMax= 7.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-09 BMatP= 8.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.993D-04 0.136D-02 0.105D-02-0.455D-02-0.243D-01-0.722D-01
 Coeff-Com:  0.191D+00 0.908D+00
 Coeff:     -0.993D-04 0.136D-02 0.105D-02-0.455D-02-0.243D-01-0.722D-01
 Coeff:      0.191D+00 0.908D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=1.31D-04 DE=-1.29D-08 OVMax= 2.29D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.67D-07    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.65D-01
                    CP:  1.04D+00  1.22D+00  1.12D+00
 E= -465.315754961764     Delta-E=       -0.000000002129 Rises=F Damp=F
 DIIS: error= 2.54D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.315754961764     IErMin= 9 ErrMin= 2.54D-07
 ErrMax= 2.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-11 BMatP= 1.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-04 0.242D-03 0.315D-03 0.928D-04-0.339D-02-0.208D-01
 Coeff-Com: -0.221D-01 0.136D+00 0.909D+00
 Coeff:     -0.263D-04 0.242D-03 0.315D-03 0.928D-04-0.339D-02-0.208D-01
 Coeff:     -0.221D-01 0.136D+00 0.909D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=3.78D-07 MaxDP=4.81D-05 DE=-2.13D-09 OVMax= 8.83D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.88D-07    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.66D-01
                    CP:  1.04D+00  1.24D+00  1.19D+00  1.17D+00
 E= -465.315754961959     Delta-E=       -0.000000000195 Rises=F Damp=F
 DIIS: error= 1.34D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.315754961959     IErMin=10 ErrMin= 1.34D-07
 ErrMax= 1.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-11 BMatP= 6.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.645D-05-0.128D-03-0.573D-04 0.636D-03 0.241D-02 0.451D-02
 Coeff-Com: -0.335D-01-0.914D-01 0.252D+00 0.866D+00
 Coeff:      0.645D-05-0.128D-03-0.573D-04 0.636D-03 0.241D-02 0.451D-02
 Coeff:     -0.335D-01-0.914D-01 0.252D+00 0.866D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.24D-07 MaxDP=1.16D-05 DE=-1.95D-10 OVMax= 5.66D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.89D-08    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.66D-01
                    CP:  1.04D+00  1.24D+00  1.21D+00  1.27D+00  9.95D-01
 E= -465.315754962013     Delta-E=       -0.000000000054 Rises=F Damp=F
 DIIS: error= 7.12D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.315754962013     IErMin=11 ErrMin= 7.12D-08
 ErrMax= 7.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-12 BMatP= 1.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.499D-05-0.518D-04-0.570D-04 0.500D-04 0.798D-03 0.408D-02
 Coeff-Com:  0.196D-02-0.318D-01-0.141D+00 0.636D-01 0.110D+01
 Coeff:      0.499D-05-0.518D-04-0.570D-04 0.500D-04 0.798D-03 0.408D-02
 Coeff:      0.196D-02-0.318D-01-0.141D+00 0.636D-01 0.110D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=4.65D-08 MaxDP=2.29D-06 DE=-5.41D-11 OVMax= 4.14D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.33D-08    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.66D-01
                    CP:  1.04D+00  1.24D+00  1.21D+00  1.29D+00  1.09D+00
                    CP:  1.24D+00
 E= -465.315754962043     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 2.89D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.315754962043     IErMin=12 ErrMin= 2.89D-08
 ErrMax= 2.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-13 BMatP= 2.66D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-05 0.290D-04 0.124D-04-0.144D-03-0.573D-03-0.115D-02
 Coeff-Com:  0.800D-02 0.216D-01-0.621D-01-0.202D+00 0.286D-02 0.123D+01
 Coeff:     -0.146D-05 0.290D-04 0.124D-04-0.144D-03-0.573D-03-0.115D-02
 Coeff:      0.800D-02 0.216D-01-0.621D-01-0.202D+00 0.286D-02 0.123D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=3.06D-08 MaxDP=3.84D-06 DE=-2.98D-11 OVMax= 2.52D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  1.22D+00  1.18D+00  1.06D+00  1.02D+00  9.66D-01
                    CP:  1.04D+00  1.24D+00  1.21D+00  1.28D+00  1.11D+00
                    CP:  1.43D+00  1.38D+00
 E= -465.315754962063     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 7.50D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.315754962063     IErMin=13 ErrMin= 7.50D-09
 ErrMax= 7.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-14 BMatP= 5.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.961D-06 0.144D-04 0.102D-04-0.476D-04-0.259D-03-0.832D-03
 Coeff-Com:  0.196D-02 0.102D-01-0.861D-03-0.641D-01-0.132D+00 0.355D+00
 Coeff-Com:  0.831D+00
 Coeff:     -0.961D-06 0.144D-04 0.102D-04-0.476D-04-0.259D-03-0.832D-03
 Coeff:      0.196D-02 0.102D-01-0.861D-03-0.641D-01-0.132D+00 0.355D+00
 Coeff:      0.831D+00
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=7.58D-09 MaxDP=5.57D-07 DE=-1.98D-11 OVMax= 5.33D-07

 SCF Done:  E(RM11) =  -465.315754962     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0126
 KE= 4.595107758077D+02 PE=-2.453728114129D+03 EE= 8.407071166989D+02
 Leave Link  502 at Thu Jul 22 19:36:59 2021, MaxMem= 17179869184 cpu:            1794.7 elap:             150.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.10068330D+03

 Leave Link  801 at Thu Jul 22 19:36:59 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 1.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.32D-01 5.24D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.57D-02 1.72D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.97D-03 7.05D-03.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 4.16D-04 3.05D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 3.08D-05 9.01D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.36D-06 1.63D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 4.16D-08 2.28D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.22D-09 4.79D-06.
     10 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 2.85D-11 6.78D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 6.19D-13 1.25D-07.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.39D-14 1.79D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.119215D+03
      2  0.956353D+00  0.114217D+03
      3 -0.591273D-01  0.117612D+01  0.110463D+03
 Isotropic polarizability for W=    0.085645      114.63 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.238023D+02 -0.128776D+02  0.112459D+02
      2  -0.159761D+02  0.588530D+01 -0.872300D+01
      3  -0.782614D+01  0.699234D+01 -0.252291D+01
      4  -0.174354D+02  0.329799D+02 -0.156301D+02
      5   0.754236D+01 -0.158109D+02  0.431496D+02
      6  -0.963768D+01 -0.143971D+02 -0.496563D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.619457D-02 -0.438383D+01  0.217790D+01
      2   0.207017D+01 -0.393524D+01  0.211648D+02
      3   0.496932D+01 -0.175949D+02  0.436548D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.180882D+00 -0.567410D+01  0.119580D+02
      2   0.370354D+01 -0.599237D+01  0.509758D+02
      3  -0.455780D+01 -0.489560D+02  0.617325D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.169898D+00  0.332095D+00 -0.861784D+00
      2   0.332095D+00  0.681550D+00 -0.639994D+00
      3  -0.861784D+00 -0.639994D+00 -0.427405D+00
 OR G Eigenvalues:    -1.1095     0.1366     1.3969  Iso=    -0.1413
 Eigenvectors:
   (1)   0.509916   0.204058   0.835671
   (2)  -0.675645   0.696290   0.242247
   (3)   0.532437   0.688143  -0.492920
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1413 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -44.03 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 6.95D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.49D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 2.61D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 2.91D-02 2.17D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.55D-03 9.66D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 8.41D-05 1.16D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.54D-06 1.24D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.01D-08 1.45D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.19D-10 1.36D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 2.06D-12 1.24D-07.
     14 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.86D-14 1.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.76D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.76D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.33D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119215D+03  0.956353D+00 -0.591273D-01
      2   0.956353D+00  0.114217D+03  0.117612D+01
      3  -0.591273D-01  0.117612D+01  0.110463D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.619457D-02 -0.438383D+01  0.217790D+01
      2   0.207017D+01 -0.393524D+01  0.211648D+02
      3   0.496932D+01 -0.175949D+02  0.436548D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.238023D+02 -0.128776D+02  0.112459D+02
      2  -0.159761D+02  0.588530D+01 -0.872300D+01
      3  -0.782614D+01  0.699234D+01 -0.252291D+01
      4  -0.174354D+02  0.329799D+02 -0.156301D+02
      5   0.754236D+01 -0.158109D+02  0.431496D+02
      6  -0.963768D+01 -0.143971D+02 -0.496563D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150542D+01  0.145130D+01  0.544992D+01  0.106592D+01  0.254408D+01
      2   0.145130D+01  0.256878D+01  0.251340D+00  0.254408D+01 -0.598285D+01
      3   0.544992D+01  0.251340D+00  0.280331D+01  0.120882D+00 -0.147548D+01
                 6             7             8             9            10 
      1   0.120882D+00  0.637825D+01  0.532587D+00  0.216785D+01 -0.406193D+01
      2  -0.147548D+01  0.532587D+00 -0.166335D+01  0.373581D+01 -0.213209D+01
      3   0.309234D+01  0.216785D+01  0.373581D+01 -0.103543D+01 -0.425067D+01
                11            12            13            14            15 
      1  -0.213209D+01 -0.425067D+01 -0.230160D+01  0.545250D+00  0.204468D+01
      2   0.806121D+00  0.201350D+01  0.545250D+00  0.398659D+00  0.285971D+01
      3   0.201350D+01 -0.821996D+00  0.204468D+01  0.285971D+01 -0.370152D+01
                16            17            18            19            20 
      1  -0.402485D+01  0.205630D+01 -0.212822D+01  0.220524D+01 -0.370596D+00
      2   0.205630D+01  0.249191D+01 -0.290560D+01 -0.370596D+00 -0.125186D+01
      3  -0.212822D+01 -0.290560D+01 -0.125237D+01  0.395277D+01 -0.266780D+01
                21            22            23            24            25 
      1   0.395277D+01  0.284882D+00 -0.348129D+00 -0.360511D+01  0.266118D+01
      2  -0.266780D+01 -0.348129D+00  0.521237D+00 -0.259980D+01 -0.236298D+01
      3  -0.602017D+00 -0.360511D+01 -0.259980D+01  0.228510D+01 -0.842483D-01
                26            27            28            29            30 
      1  -0.236298D+01 -0.842483D-01 -0.373986D+01 -0.228172D+01  0.226736D+01
      2  -0.309393D+01  0.166393D+01 -0.228172D+01  0.382813D+01  0.983325D+00
      3   0.166393D+01  0.199454D+01  0.226736D+01  0.983325D+00 -0.254812D+00
                31            32            33            34            35 
      1  -0.971693D+00  0.302210D+01  0.102830D+01  0.205357D+01  0.109506D+01
      2   0.302210D+01 -0.324979D+01  0.188781D+01  0.109506D+01  0.173035D+01
      3   0.102830D+01  0.188781D+01  0.179061D+01  0.224082D-01  0.168885D+01
                36            37            38            39            40 
      1   0.224082D-01  0.113858D+01 -0.975446D+00 -0.383040D+01 -0.855511D-02
      2   0.168885D+01 -0.975446D+00 -0.324109D+01 -0.154921D+01 -0.404308D+01
      3  -0.273693D+01 -0.383040D+01 -0.154921D+01 -0.164878D+01 -0.161999D+01
                41            42            43            44            45 
      1  -0.404308D+01 -0.161999D+01 -0.321849D+01 -0.151359D+01 -0.174407D+01
      2   0.484233D+01 -0.131464D+01 -0.151359D+01 -0.284974D+00 -0.336315D+01
      3  -0.131464D+01 -0.270569D+01 -0.174407D+01 -0.336315D+01  0.202827D+01
                46            47            48            49            50 
      1   0.720155D+01  0.305004D+01  0.180808D+00  0.256535D+01 -0.951598D+00
      2   0.305004D+01 -0.303730D+01 -0.274674D+01 -0.951598D+00 -0.716364D+00
      3   0.180808D+00 -0.274674D+01 -0.168613D+01 -0.149476D+01 -0.972206D+00
                51            52            53            54            55 
      1  -0.149476D+01  0.216823D+00 -0.122721D+01  0.181404D+00 -0.157133D+01
      2  -0.972206D+00 -0.122721D+01 -0.772948D+00  0.433774D+00 -0.888838D+00
      3  -0.533101D-01  0.181404D+00  0.433774D+00  0.142268D+01  0.146519D+01
                56            57            58            59            60 
      1  -0.888838D+00  0.146519D+01 -0.136797D+01  0.343087D+01  0.871038D+00
      2   0.462608D+01  0.126670D+01  0.343087D+01 -0.278657D+01  0.157943D+01
      3   0.126670D+01  0.136010D+01  0.871038D+00  0.157943D+01  0.214309D+01
                61            62            63            64            65 
      1   0.484860D+00 -0.422411D+00  0.915632D+00  0.147375D+01  0.199820D+01
      2  -0.422411D+00  0.192727D+01  0.870854D+00  0.199820D+01 -0.316761D+00
      3   0.915632D+00  0.870854D+00 -0.542502D+01  0.464199D+01 -0.122489D+01
                66            67            68            69            70 
      1   0.464199D+01  0.149135D+01 -0.620987D+00 -0.127085D+01  0.395836D+01
      2  -0.122489D+01 -0.620987D+00 -0.337876D+00 -0.293602D+01 -0.137072D+01
      3   0.951232D+00 -0.127085D+01 -0.293602D+01  0.243076D+01  0.900454D+00
                71            72            73            74            75 
      1  -0.137072D+01  0.900454D+00 -0.159107D+02 -0.308600D+01  0.990050D+00
      2  -0.297456D+01  0.297086D+01 -0.308600D+01 -0.107317D+01  0.943998D+00
      3   0.297086D+01  0.748934D+00  0.990050D+00  0.943998D+00 -0.886542D+00
                76            77            78            79            80 
      1  -0.315254D+01 -0.347365D+01  0.419821D+00  0.403105D+00  0.172933D+00
      2  -0.347365D+01 -0.215653D+01  0.554178D+00  0.172933D+00  0.123071D+00
      3   0.419821D+00  0.554178D+00 -0.333119D+00 -0.301049D+01 -0.879177D+00
                81            82            83            84            85 
      1  -0.301049D+01 -0.520499D+00 -0.174360D+01 -0.421801D+01 -0.212906D+01
      2  -0.879177D+00 -0.174360D+01 -0.141804D+01 -0.206465D+00 -0.209683D+01
      3   0.418632D-01 -0.421801D+01 -0.206465D+00 -0.187084D+01 -0.416163D+00
                86            87            88            89            90 
      1  -0.209683D+01 -0.416163D+00 -0.490169D+01 -0.393655D+00 -0.221931D+01
      2   0.549260D+01  0.174312D+01 -0.393655D+00  0.167978D+01 -0.267763D+01
      3   0.174312D+01 -0.270045D+01 -0.221931D+01 -0.267763D+01  0.219991D+01
                91            92            93            94            95 
      1   0.176453D+01 -0.601231D+00 -0.466154D+01 -0.803530D+00 -0.174040D+01
      2  -0.601231D+00 -0.160328D+01 -0.609089D+00 -0.174040D+01  0.541840D+01
      3  -0.466154D+01 -0.609089D+00 -0.206632D+01 -0.891646D+00  0.128397D+01
                96            97            98            99           100 
      1  -0.891646D+00 -0.438617D+01 -0.809356D+00 -0.179123D+01  0.221681D+01
      2   0.128397D+01 -0.809356D+00  0.196861D+01 -0.285335D+01 -0.341275D+00
      3  -0.334051D+01 -0.179123D+01 -0.285335D+01 -0.283030D+00 -0.232680D+01
               101           102           103           104           105 
      1  -0.341275D+00 -0.232680D+01 -0.808939D+00  0.698706D+00  0.116299D+01
      2   0.112450D+01  0.675596D+00  0.698706D+00 -0.111153D+01 -0.977522D+00
      3   0.675596D+00  0.303201D+01  0.116299D+01 -0.977522D+00 -0.234106D+01
               106           107           108           109           110 
      1  -0.175106D+01  0.498394D+00  0.205808D+01 -0.458428D+01  0.102337D+01
      2   0.498394D+00 -0.815152D+00 -0.107961D+01  0.102337D+01 -0.136540D+01
      3   0.205808D+01 -0.107961D+01 -0.640407D+01 -0.344998D+01  0.128544D+01
               111           112           113           114           115 
      1  -0.344998D+01  0.889150D+00 -0.103195D+01  0.869701D+00 -0.204387D+01
      2   0.128544D+01 -0.103195D+01  0.101998D+01 -0.933792D+00  0.777811D+00
      3  -0.353888D+01  0.869701D+00 -0.933792D+00  0.802291D+00 -0.219734D+01
               116           117           118           119           120 
      1   0.777811D+00 -0.219734D+01 -0.103117D+01  0.209723D+01 -0.629541D+00
      2  -0.538099D+00  0.734022D+00  0.209723D+01 -0.365634D+01  0.643720D+00
      3   0.734022D+00 -0.393456D+01 -0.629541D+00  0.643720D+00 -0.867302D+00
               121           122           123           124           125 
      1   0.138798D+01 -0.191207D+01  0.242307D+00 -0.347051D+00  0.775128D-01
      2  -0.191207D+01  0.902647D+01 -0.173246D+01  0.775128D-01 -0.966057D+00
      3   0.242307D+00 -0.173246D+01  0.122503D+01 -0.484339D+00  0.121042D+01
               126           127           128           129           130 
      1  -0.484339D+00  0.655723D+01  0.277449D+01 -0.214973D+01  0.155663D+01
      2   0.121042D+01  0.277449D+01  0.223228D+01 -0.116343D+01  0.148934D+01
      3  -0.375188D+00 -0.214973D+01 -0.116343D+01  0.189268D+01 -0.722989D+00
               131           132           133           134           135 
      1   0.148934D+01 -0.722989D+00 -0.182677D+01 -0.920534D+00  0.159949D+01
      2   0.208629D+01 -0.956659D+00 -0.920534D+00 -0.107705D+01  0.743713D+00
      3  -0.956659D+00  0.381643D+00  0.159949D+01  0.743713D+00 -0.133617D+01
               136           137           138           139           140 
      1  -0.252385D+00  0.162896D+00  0.131743D+01 -0.239870D+00 -0.519513D+00
      2   0.162896D+00 -0.665729D+00 -0.358885D+00 -0.519513D+00  0.344582D+00
      3   0.131743D+01 -0.358885D+00 -0.132379D+01  0.100290D+00  0.903473D+00
               141           142           143           144           145 
      1   0.100290D+00  0.156993D+01 -0.163779D+00 -0.146088D+01 -0.277865D+01
      2   0.903473D+00 -0.163779D+00  0.128125D+01  0.952989D+00  0.272455D+01
      3  -0.791123D+00 -0.146088D+01  0.952989D+00  0.919326D+01  0.168663D+00
               146           147           148           149           150 
      1   0.272455D+01  0.168663D+00  0.271540D+01 -0.309281D+01 -0.463226D+00
      2  -0.353191D+01 -0.675065D+00 -0.309281D+01  0.734011D+01  0.445962D+00
      3  -0.675065D+00 -0.747425D+00 -0.463226D+00  0.445962D+00  0.943417D+00
               151           152           153           154           155 
      1  -0.741977D+00  0.443554D+00 -0.506967D+00  0.375824D+01  0.236374D+01
      2   0.443554D+00 -0.103431D+01  0.987167D+00  0.236374D+01  0.257925D+01
      3  -0.506967D+00  0.987167D+00  0.592277D+00  0.256816D+01  0.142581D+01
               156           157           158           159           160 
      1   0.256816D+01  0.143487D+01  0.224930D+01  0.935692D+00  0.226037D+01
      2   0.142581D+01  0.224930D+01  0.310722D+01  0.198561D+01  0.132521D+01
      3   0.226761D+01  0.935692D+00  0.198561D+01  0.183932D+01  0.224962D+01
               161           162           163           164           165 
      1   0.132521D+01  0.224962D+01 -0.497246D+01 -0.173742D+01 -0.325546D+01
      2   0.208007D+01  0.251044D+01 -0.173742D+01 -0.201019D+01 -0.114364D+01
      3   0.251044D+01  0.363366D+01 -0.325546D+01 -0.114364D+01 -0.299294D+01
               166           167           168           169           170 
      1  -0.562880D+00 -0.105987D+01 -0.220919D+00 -0.285314D+01 -0.787349D+00
      2  -0.105987D+01 -0.430365D+00 -0.499952D+00 -0.787349D+00 -0.853599D+00
      3  -0.220919D+00 -0.499952D+00 -0.409134D+00 -0.253314D+01 -0.150778D+01
               171           172           173           174           175 
      1  -0.253314D+01 -0.761693D+00 -0.120422D+01  0.764497D-01 -0.912289D+00
      2  -0.150778D+01 -0.120422D+01 -0.976013D+00  0.383751D+00 -0.900559D+00
      3  -0.346664D+01  0.764497D-01  0.383751D+00 -0.488943D+00  0.308702D+00
               176           177           178           179           180 
      1  -0.900559D+00  0.308702D+00  0.548183D+00  0.777570D+00 -0.399775D+00
      2  -0.555235D+01  0.214758D+01  0.777570D+00  0.398301D+01 -0.204050D+01
      3   0.214758D+01 -0.168527D+01 -0.399775D+00 -0.204050D+01  0.268773D+01
               181           182           183           184           185 
      1   0.293904D+01 -0.162245D+01 -0.218918D+01 -0.101355D+01  0.134768D+01
      2  -0.162245D+01  0.253715D+01  0.157384D+01  0.134768D+01 -0.201236D+01
      3  -0.218918D+01  0.157384D+01  0.221983D+01  0.826106D+00 -0.102918D+01
               186           187           188           189           190 
      1   0.826106D+00 -0.202395D+01  0.945570D+00  0.143569D+01  0.105942D+01
      2  -0.102918D+01  0.945570D+00 -0.161199D+01 -0.213971D+01  0.802082D+00
      3  -0.126820D+01  0.143569D+01 -0.213971D+01 -0.331957D+01 -0.996011D+00
               191           192           193           194           195 
      1   0.802082D+00 -0.996011D+00  0.147789D+01  0.453674D+00 -0.436193D+00
      2   0.322075D+00 -0.310896D+00  0.453674D+00  0.912440D+00 -0.139467D+01
      3  -0.310896D+00  0.132954D+01 -0.436193D+00 -0.139467D+01  0.174805D+01
               196           197           198           199           200 
      1  -0.191057D+01 -0.144102D+00  0.188001D+01  0.135417D+01 -0.131183D+01
      2  -0.144102D+00 -0.155230D+01  0.156574D+01 -0.131183D+01  0.120336D+01
      3   0.188001D+01  0.156574D+01 -0.494695D+01  0.974109D-01  0.291178D+00
               201           202           203           204           205 
      1   0.974109D-01 -0.271704D+01  0.277751D+01  0.567166D+00  0.185083D+00
      2   0.291178D+00  0.277751D+01 -0.741810D+01 -0.117471D+01  0.450983D+00
      3   0.344115D+00  0.567166D+00 -0.117471D+01 -0.104058D+01  0.754490D+00
               206           207           208           209           210 
      1   0.450983D+00  0.754490D+00  0.733880D+01  0.895740D+00  0.262229D+01
      2  -0.967383D+00 -0.880021D+00  0.895740D+00  0.102001D+01  0.235334D+00
      3  -0.880021D+00 -0.714227D+00  0.262229D+01  0.235334D+00  0.170016D+01
               211           212           213           214           215 
      1   0.223930D+01  0.143425D+01  0.640287D+00  0.472031D+01  0.308124D+00
      2   0.143425D+01  0.220707D+00  0.416116D+00  0.308124D+00  0.696096D+00
      3   0.640287D+00  0.416116D+00  0.897538D+00  0.252831D+01  0.630594D+00
               216           217           218           219           220 
      1   0.252831D+01 -0.452794D+01 -0.222342D-01  0.218427D+01  0.121426D+00
      2   0.630594D+00 -0.222342D-01 -0.116683D+01  0.840673D+00 -0.701655D+00
      3   0.221588D+01  0.218427D+01  0.840673D+00 -0.266070D+01  0.360204D+00
               221           222           223           224           225 
      1  -0.701655D+00  0.360204D+00  0.185761D+01  0.307455D+00 -0.159721D+01
      2  -0.568325D+00  0.384810D+00  0.307455D+00  0.339362D+00 -0.151188D+00
      3   0.384810D+00  0.232056D+00 -0.159721D+01 -0.151188D+00  0.276901D+01
               226           227           228           229           230 
      1   0.353377D+01  0.186466D+00  0.334907D+01  0.107850D+01  0.866167D+00
      2   0.186466D+00  0.109427D+01 -0.214970D-01  0.866167D+00  0.130164D+00
      3   0.334907D+01 -0.214970D-01  0.390032D+01  0.889011D+00  0.690681D+00
               231           232           233           234           235 
      1   0.889011D+00  0.260509D+01  0.130262D+00  0.306905D+01  0.666343D+00
      2   0.690681D+00  0.130262D+00  0.579478D+00  0.402483D+00 -0.121115D+01
      3   0.195303D+01  0.306905D+01  0.402483D+00  0.587113D+01  0.625487D+00
               236           237           238           239           240 
      1  -0.121115D+01  0.625487D+00 -0.131912D+01  0.163419D+01 -0.245330D+00
      2   0.137190D+01 -0.136583D+00  0.163419D+01 -0.853820D+01  0.111464D+01
      3  -0.136583D+00  0.656501D+00 -0.245330D+00  0.111464D+01 -0.139429D+01
               241           242           243 
      1   0.126873D+00  0.216358D+00  0.394720D+00
      2   0.216358D+00 -0.674554D+00 -0.623922D+00
      3   0.394720D+00 -0.623922D+00 -0.168996D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.153013D+01  0.107954D+01  0.201847D+01  0.275830D+01 -0.609240D+01
      2   0.882744D+01 -0.314553D+00  0.425802D+01  0.166587D+01 -0.431998D+01
      3   0.455535D+00 -0.704435D+01 -0.188669D+01  0.119533D+01  0.748430D+01
                 6             7             8             9            10 
      1  -0.398005D+01  0.458032D+01  0.408581D+01  0.167096D+01 -0.503822D+01
      2   0.303431D+01 -0.358467D+01  0.338356D+01 -0.279248D+01 -0.191326D+01
      3   0.257153D+01 -0.251154D+01  0.292657D+01 -0.379381D+01 -0.205829D+01
                11            12            13            14            15 
      1  -0.268708D+01  0.876893D+00  0.164604D+01  0.500721D+01 -0.119907D+02
      2  -0.346779D+01  0.214322D+01 -0.309616D+01 -0.352413D+00  0.143409D+01
      3  -0.338554D+01  0.442562D+01  0.726331D+01  0.387901D+00  0.133613D+01
                16            17            18            19            20 
      1  -0.604442D+01 -0.166484D+00 -0.192076D+01  0.479135D+01  0.441130D+01
      2  -0.678171D+01  0.382312D+01 -0.594898D+01  0.505048D+01 -0.124310D+01
      3   0.419112D+01  0.254007D+01 -0.138672D+00 -0.262927D+00 -0.443011D+01
                21            22            23            24            25 
      1   0.445561D+01 -0.633226D+00  0.183402D+01  0.594193D+01  0.521830D+01
      2   0.113638D+02 -0.126967D+01 -0.688210D+00 -0.774393D+01  0.329051D+01
      3   0.316555D+00  0.760121D+00 -0.276991D+00 -0.182880D+01  0.754015D+00
                26            27            28            29            30 
      1   0.107702D+02 -0.217217D+01 -0.493242D+01 -0.685051D+01 -0.122205D+01
      2  -0.775102D+01  0.719218D+00 -0.212087D+01 -0.203587D+01  0.527933D+01
      3  -0.201668D+01  0.465266D+00 -0.861702D+01 -0.129393D+02  0.589604D+01
                31            32            33            34            35 
      1  -0.628425D+01 -0.235713D+01 -0.114060D+02 -0.820260D+00 -0.537794D+01
      2  -0.512547D+00  0.494930D+01  0.318046D+01  0.322406D+00  0.238480D+01
      3  -0.338949D+01  0.120562D+02  0.829152D+00  0.543047D+01  0.166553D+01
                36            37            38            39            40 
      1   0.675100D+01  0.380715D+01  0.870676D+00  0.425971D+00  0.726735D-01
      2  -0.428050D+01 -0.563766D+01 -0.649051D+00  0.497920D+01 -0.107650D+01
      3  -0.153358D+01  0.529377D+01 -0.313991D+01 -0.428547D+01  0.596272D+01
                41            42            43            44            45 
      1   0.540339D+01  0.956606D+00 -0.382321D+00  0.910764D+01 -0.772889D+01
      2   0.219768D+01 -0.134424D+01 -0.275470D+01 -0.886519D+00  0.320365D+01
      3  -0.990307D+01 -0.173551D+01 -0.349435D+01 -0.195412D+01 -0.230642D+00
                46            47            48            49            50 
      1   0.325958D+01  0.167972D+01  0.483309D+01  0.449281D+01 -0.141557D+02
      2  -0.339503D+01  0.710906D+01 -0.193510D+01  0.478398D+01 -0.316161D+01
      3   0.591170D+00  0.130786D+01 -0.689015D+01  0.644172D+01  0.207056D+01
                51            52            53            54            55 
      1  -0.176230D+01  0.913754D+00  0.107749D+02  0.150483D+02 -0.498681D+01
      2  -0.474301D+00 -0.104019D+02  0.972051D+00  0.603506D+01  0.238218D+01
      3  -0.268038D+01 -0.589268D+01 -0.286719D+01  0.316741D+00 -0.504152D+01
                56            57            58            59            60 
      1   0.623075D+01 -0.233269D+01  0.426669D+01 -0.516552D+01 -0.616461D+01
      2   0.797561D+00 -0.368469D+01  0.709858D+00 -0.692841D+01 -0.244103D+01
      3   0.326159D+01  0.515680D+01  0.677110D+01  0.189828D+01  0.167628D+01
                61            62            63            64            65 
      1  -0.711541D-01  0.505155D+01  0.113003D+02  0.651384D+01 -0.161813D+01
      2  -0.764875D+01 -0.659566D-01  0.767289D+01 -0.202744D+01  0.489235D+01
      3   0.345142D+01  0.424374D+00  0.296068D+01 -0.202716D+01 -0.969983D+01
                66            67            68            69            70 
      1   0.356917D+01 -0.284254D+01 -0.679208D+01  0.760855D+01  0.310437D+01
      2   0.813920D+01  0.297513D+01  0.209882D+01 -0.390026D+01  0.257950D+01
      3  -0.130632D+02 -0.203969D+01  0.164008D+01  0.875229D+00 -0.108807D+02
                71            72            73            74            75 
      1   0.151277D+02 -0.227879D+01 -0.688245D-01 -0.494406D+00 -0.504007D+01
      2  -0.531720D+01  0.722152D+00  0.383545D+01  0.262059D+00  0.123979D+02
      3  -0.395727D-01  0.765223D-01 -0.354888D+01 -0.136734D+02  0.409355D+00
                76            77            78            79            80 
      1  -0.311483D+01  0.277381D+01 -0.154757D+01  0.128493D+01 -0.157199D+01
      2  -0.722407D+00  0.316673D+01  0.331963D+01  0.444460D+01  0.588166D+00
      3  -0.354400D+01 -0.783037D+01 -0.711211D-01  0.440065D-01  0.486745D+00
                81            82            83            84            85 
      1  -0.567738D+01 -0.217375D+01  0.823903D-01 -0.183336D+01  0.160822D+00
      2  -0.165629D+01 -0.118834D+02 -0.605677D+00 -0.492832D+01 -0.188532D+01
      3  -0.272366D+01  0.574797D+01  0.386473D+01  0.302374D+01  0.121081D+02
                86            87            88            89            90 
      1   0.562654D+00 -0.481937D+01 -0.387660D+01 -0.280295D+00  0.288248D+01
      2   0.569561D+01 -0.807067D+01 -0.129077D+02 -0.721085D+01  0.807801D+01
      3  -0.155663D+02 -0.611373D+01  0.422277D+01 -0.548625D+01  0.976880D+01
                91            92            93            94            95 
      1  -0.867642D+01 -0.452897D+01 -0.403484D+01 -0.594515D+01  0.165029D+02
      2  -0.100894D+02 -0.587131D+00  0.129873D+02 -0.254974D-02  0.496191D+01
      3  -0.267540D+01 -0.272281D+00  0.878717D+01  0.463308D+01 -0.376071D+01
                96            97            98            99           100 
      1  -0.572345D+01 -0.399256D+01  0.281905D+01 -0.896917D+01  0.717040D+00
      2  -0.135410D+01  0.611504D+01 -0.164433D+01  0.312177D+01  0.633442D+01
      3  -0.168862D+00  0.702969D+01 -0.128847D+01  0.512097D+01  0.108603D+01
               101           102           103           104           105 
      1  -0.446054D+01 -0.224165D+01 -0.585095D+00  0.404837D+01  0.128944D+00
      2  -0.145703D+01 -0.354013D+01 -0.224725D+01  0.134280D+01  0.149970D+01
      3  -0.139373D+01 -0.998141D+00  0.735079D+00  0.294003D+00  0.442326D+00
               106           107           108           109           110 
      1  -0.201522D+01  0.489757D+01  0.394095D+01 -0.320422D+00  0.373692D+01
      2  -0.572397D+01  0.147987D+01  0.340364D+01 -0.112704D+02  0.167026D+01
      3  -0.437670D+00  0.135335D+01  0.824903D+00 -0.329011D+01 -0.180597D+01
               111           112           113           114           115 
      1  -0.318695D+00  0.138934D+01 -0.169542D+01 -0.105761D+00  0.274440D+00
      2  -0.451890D+01  0.232651D+01 -0.200248D+01  0.196160D+01 -0.529317D+01
      3  -0.176508D+01  0.140790D+01 -0.113221D-01  0.512245D+00 -0.155298D+01
               116           117           118           119           120 
      1   0.162997D+01  0.559052D+00 -0.618707D+00  0.312274D+01  0.285861D+01
      2   0.156573D+01 -0.377924D+01 -0.212893D+01  0.246776D+01  0.271370D-01
      3  -0.446821D+00 -0.148378D+01 -0.510112D+01  0.647581D+01 -0.172949D+01
               121           122           123           124           125 
      1   0.199554D+01 -0.590096D+01 -0.402248D+01  0.126292D+01 -0.301146D+00
      2   0.205842D+01 -0.358284D+01  0.446685D+00 -0.140537D+01  0.102384D+01
      3   0.734652D+01 -0.103874D+02  0.153464D+01 -0.918044D+00  0.906890D+00
               126           127           128           129           130 
      1  -0.862564D+00  0.261730D+01 -0.598866D+00 -0.450153D+01  0.195022D+00
      2  -0.394797D+00  0.636074D+01  0.168236D+01  0.152945D+01  0.104768D+01
      3  -0.218524D+01  0.148416D+02  0.181747D+01 -0.381521D+01  0.302103D+01
               131           132           133           134           135 
      1   0.412247D+00 -0.656162D+00 -0.297842D+01  0.124676D+01  0.187303D+01
      2   0.615463D+00  0.129381D+00 -0.192669D+01 -0.384879D+00 -0.165942D+00
      3   0.107212D+01 -0.101240D+01 -0.396951D+01 -0.875195D+00  0.327371D+01
               136           137           138           139           140 
      1  -0.133796D+01  0.191672D+00  0.262015D+01  0.334441D+00 -0.125705D+01
      2  -0.108214D+01  0.510670D+00  0.103902D+01  0.671429D+00  0.909171D-02
      3   0.228430D+00 -0.201658D+01  0.115702D+01 -0.213242D+00 -0.139235D+01
               141           142           143           144           145 
      1   0.362450D+01  0.274842D+01  0.141493D+01 -0.175344D+02  0.342614D+01
      2   0.195787D+01 -0.280698D+01 -0.104381D+01 -0.100807D+02  0.356670D+01
      3   0.104217D+01  0.239139D+01  0.170995D+01 -0.257335D+01 -0.143843D+01
               146           147           148           149           150 
      1  -0.644045D+01  0.100245D+00 -0.440738D+01  0.112143D+02 -0.217983D+01
      2  -0.364308D+01  0.207052D+01 -0.386385D+01  0.553669D+01 -0.903295D+00
      3  -0.169021D+01 -0.873031D+00  0.344564D+01  0.437958D+01 -0.576954D+00
               151           152           153           154           155 
      1   0.996611D+00 -0.328572D+01  0.788750D+00 -0.217601D+01  0.116568D+01
      2   0.859353D+00 -0.177724D+01  0.768930D+00 -0.214402D+01 -0.809186D+00
      3  -0.124936D+01 -0.123912D+01  0.252073D+00  0.526538D+01 -0.309629D+00
               156           157           158           159           160 
      1  -0.327605D+01 -0.754324D-01 -0.159466D+00 -0.337054D+01 -0.220152D+01
      2   0.138336D+01 -0.136291D+01 -0.375155D+00  0.122918D+01 -0.180069D+01
      3   0.305895D+01  0.249718D+01  0.752127D+00  0.305993D+00  0.356488D+01
               161           162           163           164           165 
      1  -0.442862D-01 -0.428024D+01 -0.420804D+01  0.142950D+01 -0.534288D+01
      2   0.113432D+01  0.216141D+01 -0.556083D+01 -0.107767D+01  0.484451D-01
      3  -0.596303D+00  0.156116D+01  0.111861D+02 -0.140536D+00  0.649770D+01
               166           167           168           169           170 
      1   0.337878D+00 -0.557111D+00 -0.124339D+01 -0.449916D+01 -0.279113D+00
      2  -0.535864D+00 -0.122303D+01 -0.101074D+00 -0.340815D+01 -0.175819D+00
      3   0.126519D+01  0.217453D+01  0.649982D+00  0.652089D+01  0.491809D+00
               171           172           173           174           175 
      1  -0.533356D+01  0.162170D+01  0.178613D+01 -0.149033D+01  0.182437D+01
      2  -0.236962D+00 -0.729495D+00 -0.170894D+01  0.128863D+01 -0.607532D+00
      3   0.498888D+01  0.105884D+01  0.948851D+00 -0.285967D+00  0.337093D+01
               176           177           178           179           180 
      1   0.114852D+02 -0.940819D+01 -0.125831D+01 -0.850703D+01  0.111130D+02
      2  -0.288239D+01  0.206950D+01 -0.396756D+00  0.254109D+01 -0.332209D+01
      3  -0.184441D+01  0.998171D+00 -0.219328D+01  0.156343D+01 -0.806043D+00
               181           182           183           184           185 
      1  -0.272393D+01 -0.151779D+01  0.357889D+01  0.147117D+00  0.486175D+00
      2   0.698273D+01 -0.301359D+01 -0.286074D+01 -0.226719D+01  0.227466D+01
      3  -0.953699D+01  0.349562D+01  0.595069D+01  0.453226D+01 -0.347181D+01
               186           187           188           189           190 
      1  -0.269010D+01  0.203033D+01 -0.663964D+00 -0.425532D+01 -0.965595D+00
      2   0.144211D+01 -0.539124D+01  0.232923D+01  0.300467D+01 -0.206480D+01
      3  -0.247726D+01  0.629995D+01 -0.213875D+01 -0.446309D+01 -0.237318D+01
               191           192           193           194           195 
      1  -0.626152D+00  0.738733D+00 -0.143350D+00 -0.210923D+01  0.122434D+01
      2  -0.572231D+00  0.386317D+01  0.308006D+00 -0.445072D+01  0.616426D+01
      3  -0.196215D+01  0.164662D+01 -0.419812D+00 -0.423264D+01  0.493302D+01
               196           197           198           199           200 
      1   0.831883D+00  0.422059D+01 -0.367462D+01  0.507209D+00 -0.365100D+00
      2   0.121714D+01  0.571796D+01 -0.154466D+02  0.622118D+00  0.463426D+00
      3   0.686824D+00  0.614776D+01 -0.620203D+01  0.258936D+01 -0.344822D+01
               201           202           203           204           205 
      1   0.432629D+00 -0.116161D+00  0.167380D+01 -0.316245D+01  0.347496D+00
      2   0.166013D+01  0.748461D+00 -0.325595D+01 -0.380363D+01  0.104361D+01
      3  -0.994563D+00 -0.243463D+01  0.206376D+02  0.315229D+01 -0.122637D+01
               206           207           208           209           210 
      1   0.611668D+00 -0.501557D+00  0.175887D+01  0.825822D+00  0.832487D+00
      2  -0.205546D+01 -0.204643D+01  0.815357D+01  0.125903D+01  0.799170D+01
      3   0.300172D+01  0.185707D+01 -0.683730D+01 -0.557170D+01 -0.254963D+01
               211           212           213           214           215 
      1   0.461198D+00  0.718733D+00 -0.320419D+00  0.190717D+01  0.162700D+01
      2   0.184633D+01  0.122158D+01  0.347590D+01  0.590638D+01  0.205799D+01
      3  -0.375668D+01 -0.199491D+01 -0.133277D+01 -0.353244D+01 -0.345981D+01
               216           217           218           219           220 
      1   0.886250D+00  0.420093D+01 -0.316411D+01 -0.215201D+01 -0.173121D+01
      2   0.775518D+01  0.152363D+02 -0.444516D+00 -0.492873D+01 -0.371340D+00
      3  -0.346040D+01  0.807021D+01 -0.158765D+01 -0.339516D+01  0.812077D+00
               221           222           223           224           225 
      1  -0.171961D+00  0.373401D+00 -0.217608D+01  0.184325D+01  0.297134D+01
      2   0.212389D+01 -0.360823D+00 -0.730824D+01 -0.441929D+00  0.478767D+01
      3   0.120694D+01 -0.731941D+00 -0.324509D+01  0.220525D+00  0.233596D+01
               226           227           228           229           230 
      1   0.499998D+01  0.386330D+01  0.498893D+01  0.274713D+01  0.178836D+01
      2  -0.505093D+01 -0.907567D+00 -0.122051D+01 -0.200754D+01 -0.979505D+00
      3  -0.410314D+01 -0.310145D+01 -0.386962D+01 -0.121530D+01 -0.157919D+01
               231           232           233           234           235 
      1   0.275118D+01  0.435357D+01  0.394783D+01  0.826432D+01 -0.152410D+01
      2   0.670979D+00 -0.530754D+01  0.323810D-01 -0.173167D-01 -0.282628D+00
      3  -0.149815D+01 -0.352700D+01 -0.176758D+01 -0.425213D+01  0.197246D-01
               236           237           238           239           240 
      1   0.287597D+01  0.145628D+01  0.307840D+01 -0.180820D+02 -0.330198D+01
      2   0.200738D+01  0.413576D+00  0.268696D+01 -0.199153D+01 -0.151829D+01
      3  -0.683022D+00 -0.511221D+00  0.305398D+01  0.667538D+01 -0.654977D+00
               241           242           243 
      1   0.938866D+00 -0.157499D+01 -0.227399D+01
      2  -0.540742D+00 -0.757327D+00 -0.124220D+01
      3   0.435355D-01  0.737131D+00  0.436881D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.868839D+01  0.336864D+01  0.120515D+02  0.391065D+01  0.782983D+01
      2  -0.104672D+01 -0.225377D+01 -0.823249D+01 -0.317221D+01 -0.256252D+01
      3   0.973510D+01 -0.111487D+01 -0.381905D+01 -0.738434D+00 -0.526731D+01
      4  -0.467758D+00  0.336928D+01 -0.473407D+01  0.490082D+01 -0.114554D+02
      5   0.102492D+02 -0.842063D+00  0.674544D+01  0.612137D+00  0.421542D+00
      6  -0.707176D+01  0.221743D+01 -0.194373D+01  0.243843D+01 -0.488537D+01
                 6             7             8             9            10 
      1  -0.394161D+01  0.158321D+02 -0.282145D+01  0.897434D+01 -0.622160D+00
      2  -0.297054D+01 -0.885626D+01 -0.136953D+01 -0.424162D+01  0.543800D+00
      3   0.691214D+01 -0.697586D+01  0.419098D+01 -0.473272D+01  0.783597D-01
      4  -0.915026D+00 -0.446231D+01 -0.670213D+00  0.167530D+01  0.597220D+01
      5   0.574047D+01  0.748195D+01  0.512574D+01 -0.204029D+01 -0.807722D+00
      6  -0.371281D+01 -0.152328D+01 -0.434489D+01  0.283747D+01  0.720582D+01
                11            12            13            14            15 
      1   0.528346D+01  0.830443D+00  0.660747D+01  0.466734D+00 -0.108269D+02
      2  -0.178162D+01  0.307503D+01 -0.192194D+00  0.581704D+01 -0.340572D+01
      3  -0.350184D+01 -0.390547D+01 -0.641527D+01 -0.628378D+01  0.142326D+02
      4   0.308427D+01  0.362168D+01  0.217114D+00  0.721247D+00 -0.132345D+01
      5  -0.159108D+01  0.319475D+01 -0.200955D+01 -0.197467D+01 -0.317616D+01
      6  -0.111677D+01  0.552573D+00 -0.372598D+00  0.241301D+01 -0.427747D+01
                16            17            18            19            20 
      1  -0.115022D+02 -0.697711D+01 -0.117546D+01  0.585675D+01 -0.275616D+01
      2   0.392788D+01 -0.322643D+01  0.126420D+01  0.107698D+02 -0.105600D+02
      3   0.757428D+01  0.102035D+02 -0.887417D-01 -0.166266D+02  0.133161D+02
      4   0.555591D+01 -0.381639D+01  0.260420D+01  0.434150D+01 -0.301811D+01
      5   0.183481D+01 -0.350567D+00  0.409275D-01 -0.912057D+01  0.313402D+01
      6   0.184499D+00 -0.613128D+00  0.976480D+01  0.420888D+01 -0.105468D+01
                21            22            23            24            25 
      1  -0.714168D+01 -0.918926D+01 -0.619506D+01  0.124348D+02 -0.121793D+01
      2  -0.409817D+01 -0.758951D+01 -0.609706D+01  0.916452D+00 -0.505856D+01
      3   0.112398D+02  0.167788D+02  0.122921D+02 -0.133512D+02  0.627649D+01
      4   0.310424D+01 -0.255786D+01 -0.307161D+01 -0.191228D+01  0.147271D+01
      5  -0.187156D+02  0.477433D+01  0.250395D+01  0.105600D+02 -0.130141D+02
      6   0.979441D+01 -0.252725D+01 -0.470475D+01  0.695645D+01  0.727608D+01
                26            27            28            29            30 
      1   0.682513D+01  0.201147D+01 -0.494146D+01 -0.148930D+02  0.537258D+01
      2   0.654094D+00  0.100176D+02 -0.529468D+01  0.239141D+02  0.674143D+00
      3  -0.747922D+01 -0.120291D+02  0.102361D+02 -0.902115D+01 -0.604672D+01
      4  -0.183955D+01  0.312688D+01 -0.168728D+02 -0.106633D+02  0.110744D+02
      5   0.743141D+01  0.250712D+01  0.111827D+02  0.710550D+01 -0.337946D+01
      6   0.470988D+01 -0.455033D+01  0.137650D+02 -0.134568D+01 -0.455297D+01
                31            32            33            34            35 
      1  -0.946564D+01  0.150122D+02 -0.308523D+00  0.475469D+01  0.848803D+00
      2   0.164784D+02 -0.211330D+02  0.829584D+01  0.104192D+01  0.777042D+01
      3  -0.701279D+01  0.612074D+01 -0.798731D+01 -0.579661D+01 -0.861923D+01
      4  -0.363295D+01  0.113970D+02  0.176148D+01  0.983980D+01  0.366061D+01
      5   0.308455D+01 -0.345127D+01 -0.767591D-01 -0.380359D+01  0.343534D+00
      6  -0.149343D+01  0.867407D+01  0.109664D+01 -0.293158D+01  0.271096D+01
                36            37            38            39            40 
      1  -0.736449D+01  0.868650D+00  0.461499D+01  0.193699D+00  0.287782D+01
      2   0.640156D+01  0.150791D+01 -0.891178D+01 -0.308361D+01 -0.586157D+01
      3   0.962928D+00 -0.237656D+01  0.429679D+01  0.288991D+01  0.298374D+01
      4   0.301327D+01  0.162475D+01 -0.675360D+01 -0.102883D+02 -0.627913D+01
      5  -0.192985D+01 -0.411010D+01 -0.747655D+01 -0.859066D+01 -0.428289D+01
      6  -0.999163D+01 -0.119707D+02 -0.103693D+02 -0.398315D+01 -0.760918D+01
                41            42            43            44            45 
      1  -0.803992D+01  0.155885D+00 -0.246529D+01 -0.952473D+00  0.290963D+01
      2   0.113089D+02 -0.434697D+00 -0.217743D+00 -0.907952D+00 -0.804540D+01
      3  -0.326897D+01  0.278811D+00  0.268304D+01  0.186042D+01  0.513576D+01
      4  -0.233786D+01 -0.448425D+01 -0.875541D+01 -0.472267D+01 -0.105503D+02
      5  -0.504532D+01 -0.654315D+01 -0.729160D+01 -0.823008D+01 -0.460384D+01
      6   0.103849D+01 -0.837842D+01 -0.578274D+01 -0.110955D+02  0.257695D+01
                46            47            48            49            50 
      1  -0.497269D+02 -0.689948D+01  0.270454D+01 -0.166822D+02  0.638238D+00
      2   0.232368D+02 -0.120717D+01 -0.277300D+01  0.806496D+01 -0.304263D+01
      3   0.264902D+02  0.810665D+01  0.684581D-01  0.861724D+01  0.240439D+01
      4  -0.128153D+02 -0.790567D+01  0.223174D+01 -0.228909D+00 -0.331835D+01
      5   0.504329D+01  0.457832D+01 -0.665574D+01  0.232248D+01  0.967734D+00
      6   0.390335D+00  0.762955D+00 -0.494266D+01  0.328847D+01 -0.455651D+01
                51            52            53            54            55 
      1   0.107371D+02  0.768684D+00  0.937059D+01 -0.878550D+00  0.179038D+01
      2  -0.757633D+00  0.155696D+01 -0.497688D+01 -0.137714D+01 -0.672114D+01
      3  -0.997943D+01 -0.232564D+01 -0.439371D+01  0.225569D+01  0.493076D+01
      4   0.237541D+01 -0.114418D+01  0.384778D+01 -0.233887D+01  0.811419D+00
      5  -0.340148D+01  0.312091D+01 -0.605202D+00  0.648080D-01 -0.297033D+01
      6  -0.277936D+01  0.963009D-01  0.111631D+00 -0.579374D+01  0.407618D+01
                56            57            58            59            60 
      1  -0.766119D+01 -0.675408D+01  0.913701D+00 -0.220102D+01 -0.813588D+01
      2   0.162511D+02  0.195727D+01  0.908712D+01 -0.115144D+02  0.725023D-01
      3  -0.858991D+01  0.479682D+01 -0.100008D+02  0.137154D+02  0.806338D+01
      4  -0.124804D+02  0.690242D+00 -0.855787D+01  0.165329D+02 -0.186531D+01
      5  -0.157282D+01  0.468176D+00 -0.339846D+00  0.263115D+01 -0.858615D+00
      6   0.938783D+01  0.334909D+01  0.366649D+01  0.774740D+00  0.850514D+01
                61            62            63            64            65 
      1   0.181052D+01 -0.306889D+01  0.102151D+02  0.544043D+01 -0.545787D+01
      2  -0.468106D+01  0.755804D+01  0.152422D+02  0.380833D+01  0.250927D+01
      3   0.287054D+01 -0.448915D+01 -0.254573D+02 -0.924876D+01  0.294860D+01
      4   0.368672D+01 -0.393918D+01  0.501362D+01 -0.519619D+01 -0.917409D+01
      5   0.106601D+01  0.152158D+00  0.124717D+02 -0.860935D+01 -0.769559D+01
      6   0.819099D+00  0.552688D+01 -0.856465D+01 -0.204867D+02  0.742007D+01
                66            67            68            69            70 
      1  -0.922208D+01 -0.455937D+01 -0.184196D+01 -0.274551D+01 -0.756425D+01
      2   0.111724D+02  0.888788D+00 -0.397577D+01  0.169376D+02  0.103242D+02
      3  -0.195033D+01  0.367058D+01  0.581773D+01 -0.141921D+02 -0.275996D+01
      4  -0.182035D+02 -0.594816D+01  0.144217D+01  0.841909D+01 -0.157847D+02
      5  -0.170601D+02 -0.374513D+01  0.652692D+01  0.266110D+00 -0.143620D+02
      6  -0.360829D+00  0.682233D+01  0.138789D+02 -0.602953D+01 -0.655931D+00
                71            72            73            74            75 
      1  -0.544209D+01  0.372454D+01  0.102770D+03  0.134820D+02 -0.342849D+01
      2   0.205589D+02 -0.765671D+01 -0.499031D+02 -0.396904D+01  0.259250D+01
      3  -0.151169D+02  0.393217D+01 -0.528670D+02 -0.951299D+01  0.835996D+00
      4   0.938576D+01 -0.453815D+01  0.177524D+02  0.203183D+02 -0.219665D+01
      5  -0.814151D+00 -0.154076D+01 -0.878722D+01 -0.306660D+01  0.179805D+02
      6  -0.101545D+02 -0.644512D+01 -0.493879D+01 -0.281373D+01  0.325912D+01
                76            77            78            79            80 
      1   0.154497D+02  0.134269D+02 -0.276796D+01  0.152248D+01 -0.188040D+01
      2  -0.619243D+01 -0.123539D+01  0.142878D+01  0.187901D+01  0.103332D+01
      3  -0.925730D+01 -0.121915D+02  0.133918D+01 -0.340149D+01  0.847080D+00
      4   0.249052D+02  0.129056D+02 -0.278846D+01 -0.255765D+01 -0.185390D+01
      5  -0.401806D+01 -0.342905D+01  0.451798D+01  0.216315D+02  0.483415D+01
      6  -0.362379D+01 -0.197705D+01  0.536027D+01  0.244389D+01  0.456219D+01
                81            82            83            84            85 
      1   0.109287D+02 -0.364223D+01 -0.113645D+02 -0.237675D+02 -0.159625D+02
      2  -0.101275D+02  0.425633D+01  0.841429D+01  0.125160D+02  0.137333D+02
      3  -0.801211D+00 -0.614096D+00  0.295025D+01  0.112515D+02  0.222919D+01
      4   0.407122D+01 -0.100963D+02 -0.572896D+01  0.124148D+01 -0.971862D+01
      5  -0.445409D+01 -0.233704D+02 -0.933356D+00 -0.103942D+02 -0.373588D+01
      6  -0.930898D+00  0.415312D+01  0.917843D+00  0.891826D+00  0.184578D+01
                86            87            88            89            90 
      1  -0.491759D+00 -0.100005D+01 -0.294689D+02 -0.915432D+00 -0.129604D+02
      2  -0.991874D+01 -0.275389D+01  0.151175D+02 -0.275304D+01  0.107993D+02
      3   0.104105D+02  0.375393D+01  0.143514D+02  0.366847D+01  0.216111D+01
      4   0.264967D+02  0.716083D+01 -0.998242D+00  0.665897D+01 -0.986817D+01
      5   0.742334D+01 -0.124808D+02 -0.143219D+02 -0.116834D+02  0.869405D+01
      6  -0.560722D+01  0.951159D+00  0.543772D+00  0.134497D+01 -0.347875D+00
                91            92            93            94            95 
      1   0.989069D+01 -0.289276D+01 -0.692517D+01 -0.339830D+01  0.372454D+01
      2   0.113243D+02  0.855567D+01  0.132911D+02  0.106978D+02 -0.236728D+02
      3  -0.212149D+02 -0.566291D+01 -0.636591D+01 -0.729954D+01  0.199482D+02
      4  -0.571730D+01 -0.187505D+01  0.640792D+01 -0.231677D+01  0.140342D+02
      5  -0.262877D+01 -0.242269D+01 -0.225254D+02 -0.499948D+01 -0.269290D+01
      6   0.479026D+01 -0.303436D+01 -0.236140D+01 -0.394144D+01  0.118654D+02
                96            97            98            99           100 
      1   0.548138D+01 -0.755871D+01  0.691708D+01 -0.971761D+01 -0.137953D+01
      2   0.731709D+01  0.131083D+02  0.609738D+00  0.140391D+02 -0.931966D+01
      3  -0.127985D+02 -0.554957D+01 -0.752681D+01 -0.432151D+01  0.106992D+02
      4   0.200847D+01  0.574444D+01  0.403252D+01 -0.247250D+01 -0.102465D+01
      5  -0.978630D+01 -0.202819D+02 -0.711395D+01 -0.896825D+01 -0.105012D+02
      6   0.821668D+01 -0.140399D+01  0.968911D+01 -0.994667D+01 -0.646939D-01
               101           102           103           104           105 
      1  -0.163916D+00  0.624390D+01  0.218261D+01 -0.278514D+01 -0.709202D+01
      2   0.375808D+01  0.109821D+02  0.323822D+01 -0.183816D+01 -0.627616D+01
      3  -0.359417D+01 -0.172260D+02 -0.542084D+01  0.462330D+01  0.133682D+02
      4   0.208015D+01 -0.332886D+00  0.191788D+01 -0.988323D+00 -0.124805D+01
      5   0.216594D+01  0.145664D+02  0.247844D+01 -0.391488D+01 -0.428897D+01
      6  -0.433506D+01 -0.976914D+00 -0.263557D+01  0.517458D+01  0.608554D+01
               106           107           108           109           110 
      1   0.399659D+01 -0.254303D+01 -0.169971D+02  0.378563D+01  0.182609D+01
      2   0.770849D+01 -0.364609D+01 -0.219640D+02 -0.120695D+02  0.124931D+01
      3  -0.117051D+02  0.618913D+01  0.389611D+02  0.828392D+01 -0.307540D+01
      4  -0.279865D+00 -0.113285D+01 -0.975412D+00 -0.949082D+01  0.559129D+01
      5   0.111654D+02 -0.327759D+01 -0.141010D+02  0.225768D+02 -0.503518D+01
      6  -0.103632D+01  0.530640D+01  0.144841D+01 -0.753022D+01  0.733177D+01
               111           112           113           114           115 
      1  -0.242123D+01  0.131384D+01 -0.166721D+01  0.206755D+01 -0.210640D+01
      2  -0.995495D+01  0.977097D+00  0.136125D+01  0.123698D+00 -0.659082D+01
      3   0.123762D+02 -0.229093D+01  0.305961D+00 -0.219125D+01  0.869722D+01
      4  -0.685156D+01  0.585519D+01 -0.291591D+01  0.368926D+01 -0.413236D+01
      5   0.197069D+02 -0.445796D+01  0.469593D+01 -0.466355D+01  0.132304D+02
      6  -0.899549D+01  0.581286D+01 -0.568944D+01  0.728701D+01 -0.604807D+01
               116           117           118           119           120 
      1   0.165816D+01 -0.715038D+01 -0.316098D+01  0.115141D+02 -0.360111D+01
      2   0.512176D+00 -0.121257D+02  0.906194D+01 -0.205283D+02  0.239190D+01
      3  -0.217034D+01  0.192760D+02 -0.590096D+01  0.901421D+01  0.120921D+01
      4   0.216200D+01 -0.524445D+01 -0.583897D+01  0.118712D+02 -0.307201D+01
      5  -0.413206D+01  0.141786D+02  0.131050D+01 -0.393712D+01  0.231810D+01
      6   0.499352D+01 -0.818949D+01 -0.546933D+01  0.807224D+01 -0.495015D+01
               121           122           123           124           125 
      1   0.673160D+01 -0.309458D+02  0.620214D+01 -0.155068D+01  0.421192D+01
      2  -0.112503D+02  0.557074D+02 -0.814260D+01  0.310588D+00 -0.369803D+01
      3   0.451871D+01 -0.247616D+02  0.194046D+01  0.124009D+01 -0.513887D+00
      4   0.853557D+01 -0.759810D+01  0.634925D+00 -0.166231D+01  0.564104D+00
      5  -0.283282D+01  0.250831D+01 -0.588976D+00  0.210507D+01 -0.604818D+00
      6   0.364699D+01 -0.206043D+02  0.107263D+02 -0.277881D+01  0.109139D+02
               126           127           128           129           130 
      1  -0.531581D+01  0.178952D+02  0.318734D+01 -0.193348D+01  0.140485D+01
      2   0.558438D+01 -0.297972D+01  0.433298D+01  0.905175D+00  0.342387D+01
      3  -0.268566D+00 -0.149154D+02 -0.752032D+01  0.102831D+01 -0.482872D+01
      4  -0.247766D+01  0.301485D+02  0.186451D+02 -0.105406D+02  0.121901D+02
      5   0.109945D+01 -0.183020D+02 -0.852158D+01  0.101586D+02 -0.443799D+01
      6  -0.376776D+01 -0.133199D+02 -0.896255D+01  0.101895D+02 -0.569132D+01
               131           132           133           134           135 
      1  -0.133251D+01  0.834774D+00 -0.178798D+01  0.936943D+00  0.914813D+00
      2   0.826757D+01 -0.334396D+01  0.174995D+01 -0.238040D+01 -0.313076D+01
      3  -0.693506D+01  0.250919D+01  0.380266D-01  0.144346D+01  0.221595D+01
      4   0.100196D+02 -0.490578D+01 -0.842669D+01 -0.568074D+01  0.733495D+01
      5  -0.474173D+01  0.285511D+01  0.102694D+02  0.467367D+01 -0.723368D+01
      6  -0.782588D+01  0.465180D+01  0.849418D+01  0.680648D+01 -0.701557D+01
               136           137           138           139           140 
      1  -0.938888D+00  0.117971D+01 -0.298373D+00  0.202149D+01 -0.285681D+01
      2  -0.406933D+01 -0.127031D+01  0.435104D+01 -0.265092D+01  0.367763D+00
      3   0.500821D+01  0.905992D-01 -0.405267D+01  0.629431D+00  0.248905D+01
      4  -0.109345D+01  0.394560D+01  0.361800D+01  0.156641D+01 -0.235502D+01
      5  -0.485644D+01  0.133782D+01  0.102441D+02 -0.149568D+01 -0.244210D+01
      6   0.233321D+01 -0.225565D+01 -0.263689D+01 -0.149094D+01  0.213888D+01
               141           142           143           144           145 
      1  -0.213930D+00 -0.909341D+00 -0.476886D+01 -0.233160D+02  0.561855D+01
      2   0.525898D+01  0.520477D+01  0.670785D+00 -0.223671D+02  0.573729D+01
      3  -0.504505D+01 -0.429543D+01  0.409808D+01  0.456831D+02 -0.113558D+02
      4  -0.139021D+01  0.354690D+01 -0.254951D+01 -0.639210D+01 -0.166613D+02
      5   0.254646D+01  0.916364D+01 -0.276397D+01 -0.203779D+02 -0.400480D+01
      6   0.492245D+01 -0.380403D+01  0.824476D+01  0.206080D+02  0.369878D+01
               146           147           148           149           150 
      1  -0.241373D-01  0.163241D+01  0.157716D-01 -0.123151D+02 -0.156187D+01
      2  -0.108138D+02 -0.130957D+01 -0.105773D+02  0.341548D+02  0.139604D+01
      3   0.108379D+02 -0.322839D+00  0.105615D+02 -0.218397D+02  0.165839D+00
      4   0.208322D+02  0.283736D+01  0.174193D+02 -0.281179D+02 -0.254997D+01
      5   0.555023D+01  0.374711D+01  0.426462D+01 -0.437881D+01 -0.301808D+01
      6  -0.658601D+01 -0.381162D+01 -0.574523D+01  0.120432D+02  0.630405D+01
               151           152           153           154           155 
      1   0.233232D+01 -0.258708D+00 -0.337048D+01  0.564737D+01 -0.457386D+00
      2   0.739375D+00 -0.522644D+01  0.180339D+01 -0.660557D+00  0.513053D+01
      3  -0.307169D+01  0.548515D+01  0.156708D+01 -0.498682D+01 -0.467314D+01
      4  -0.307804D+01  0.371068D+01 -0.431471D+01  0.157769D+02  0.145074D+02
      5   0.166081D+01 -0.282698D+01 -0.144638D+01  0.135091D+02  0.817901D+01
      6  -0.253637D+01  0.498976D+01  0.211069D+01  0.109539D+02  0.910958D+01
               156           157           158           159           160 
      1   0.115665D+01 -0.179959D+01 -0.565044D+01 -0.390649D+01  0.311600D+00
      2  -0.116494D+01  0.568128D+01  0.114287D+02  0.482521D+01 -0.148824D+01
      3   0.828399D-02 -0.388169D+01 -0.577825D+01 -0.918716D+00  0.117664D+01
      4   0.104874D+02  0.117366D+02  0.130593D+02  0.769824D+01  0.908057D+01
      5   0.116494D+02  0.562140D+01  0.764558D+01  0.557890D+01  0.113184D+02
      6   0.922186D+01  0.768611D+01  0.123686D+02  0.121646D+02  0.934065D+01
               161           162           163           164           165 
      1  -0.437484D+01 -0.570714D+01  0.922308D+01 -0.180906D+01  0.154010D+01
      2   0.335680D+01 -0.174812D+00 -0.936010D+01  0.475383D+01 -0.757215D+01
      3   0.101805D+01  0.588195D+01  0.137022D+00 -0.294477D+01  0.603205D+01
      4   0.833710D+01  0.105288D+02  0.204739D+02  0.119584D+02  0.138767D+02
      5   0.768118D+01  0.130287D+02  0.209856D+02  0.733553D+01  0.177265D+02
      6   0.142487D+02  0.163443D+02  0.140947D+02  0.867451D+01  0.125598D+02
               166           167           168           169           170 
      1  -0.138072D+01 -0.294355D+00 -0.119316D+01  0.162013D+01 -0.228398D+01
      2   0.399617D+01  0.163350D+01  0.177377D+01 -0.743399D+01 -0.904337D-01
      3  -0.261544D+01 -0.133914D+01 -0.580611D+00  0.581387D+01  0.237441D+01
      4   0.668839D+01  0.528543D+01  0.321520D+01  0.119213D+02  0.484497D+01
      5   0.210642D+01  0.396747D+01  0.124957D+01  0.155478D+02  0.479139D+01
      6   0.428813D+01  0.311987D+01  0.561669D+01  0.102462D+02  0.995653D+01
               171           172           173           174           175 
      1  -0.391842D+01 -0.582752D+00  0.662265D-01  0.210918D+00 -0.581899D+00
      2  -0.669319D+01  0.372758D+01  0.439672D+01 -0.245190D+01  0.488073D+01
      3   0.106116D+02 -0.314483D+01 -0.446294D+01  0.224098D+01 -0.429883D+01
      4   0.101746D+02  0.464769D+01  0.898477D+01 -0.149145D+01  0.758059D+01
      5   0.151226D+02  0.405823D+00  0.531915D+00  0.349471D+01  0.264886D+00
      6   0.145923D+02  0.260019D+00 -0.140696D+01  0.189543D+01 -0.134525D+01
               176           177           178           179           180 
      1  -0.139988D+02  0.456490D+01  0.360180D+00  0.880910D+01 -0.374323D+01
      2   0.355706D+02 -0.136304D+02 -0.368174D+01 -0.224510D+02  0.102400D+02
      3  -0.215718D+02  0.906552D+01  0.332156D+01  0.136419D+02 -0.649677D+01
      4   0.965364D+01 -0.403649D+01 -0.407800D+01 -0.746949D+01  0.384828D+01
      5  -0.241537D+01  0.170652D+01  0.256318D+01  0.223860D+01 -0.285961D+01
      6  -0.656919D+01  0.906177D+01  0.150334D+01  0.878650D+01 -0.122653D+02
               181           182           183           184           185 
      1  -0.337100D+01  0.875716D+01  0.837914D+01  0.463436D+01 -0.870236D+01
      2   0.647715D+00 -0.975354D+01 -0.199214D+01 -0.542855D+01  0.105958D+02
      3   0.272328D+01  0.996378D+00 -0.638700D+01  0.794191D+00 -0.189349D+01
      4  -0.138116D+02  0.883304D+01  0.991403D+01  0.641414D+01 -0.685821D+01
      5  -0.954603D+01  0.547864D+01  0.888337D+01  0.298661D+01 -0.459706D+01
      6   0.116933D+02 -0.124976D+02 -0.126902D+02 -0.695165D+01  0.989237D+01
               186           187           188           189           190 
      1  -0.615831D+01  0.531743D+01 -0.862837D+01 -0.123137D+02  0.686394D+01
      2   0.389817D+01 -0.844985D+00  0.406610D+01  0.105503D+01 -0.578022D+01
      3   0.226013D+01 -0.447244D+01  0.456227D+01  0.112586D+02 -0.108372D+01
      4  -0.495824D+01  0.890596D+01 -0.519004D+01 -0.621522D+01  0.366633D+01
      5  -0.247497D+01  0.800680D+01 -0.288211D+01 -0.587316D+01 -0.621469D+01
      6   0.105267D+02 -0.797610D+01  0.145338D+02  0.178084D+02 -0.759075D+00
               191           192           193           194           195 
      1   0.415699D+01 -0.432875D+01  0.841693D+01 -0.152468D-02 -0.125203D+01
      2  -0.279333D+01  0.467373D+01 -0.544508D+01  0.613683D+00  0.289752D+01
      3  -0.136367D+01 -0.344974D+00 -0.297185D+01 -0.612158D+00 -0.164549D+01
      4   0.290036D+01 -0.219323D+01  0.353034D+01  0.362867D+01 -0.620643D+01
      5  -0.297815D+01  0.107229D+02 -0.377937D+01 -0.624182D+01  0.891325D+01
      6  -0.559010D+00 -0.952234D-01 -0.544688D+00 -0.166572D+01  0.239502D+01
               196           197           198           199           200 
      1  -0.908542D+01  0.192819D+00  0.434962D+01  0.646956D+01 -0.554772D+01
      2   0.735685D+01  0.237948D+01 -0.122896D+02 -0.175699D+00  0.165829D+00
      3   0.172857D+01 -0.257230D+01  0.793996D+01 -0.629386D+01  0.538189D+01
      4  -0.758613D+00 -0.733470D+01  0.642009D+01 -0.869119D+01  0.117230D+02
      5   0.145387D+02  0.752935D+01 -0.252967D+02  0.822377D-01  0.266074D+01
      6  -0.933360D+00  0.307255D+01  0.589809D+00  0.119441D+01 -0.143190D+01
               201           202           203           204           205 
      1   0.120400D+01 -0.967397D+01 -0.299701D+01  0.542908D+00  0.189588D+01
      2  -0.879789D+00 -0.165713D+01  0.208834D+02  0.167466D+01 -0.134731D+01
      3  -0.324211D+00  0.113311D+02 -0.178864D+02 -0.221756D+01 -0.548566D+00
      4   0.226339D+01  0.201905D+02 -0.383212D+02 -0.575913D+01  0.290981D+01
      5   0.315527D+01  0.399856D+01 -0.526892D+01 -0.544704D+01  0.539540D+01
      6  -0.974451D+00 -0.245982D+01  0.737385D+01  0.623653D+01 -0.236514D+01
               206           207           208           209           210 
      1   0.222598D+00  0.724409D+00  0.508829D+02  0.637826D+01  0.165591D+02
      2   0.140722D+01  0.446533D+00 -0.275332D+02 -0.384660D+01 -0.976809D+01
      3  -0.162982D+01 -0.117094D+01 -0.233497D+02 -0.253166D+01 -0.679106D+01
      4  -0.514279D+01 -0.438234D+01  0.294072D+01  0.773100D+01  0.922686D+00
      5  -0.453533D+01 -0.366383D+01  0.192444D+02  0.207993D+01  0.134951D+02
      6   0.600224D+01  0.232071D+01 -0.182907D+01  0.586159D+00 -0.122248D+01
               211           212           213           214           215 
      1   0.139757D+02  0.617914D+01  0.337189D+01  0.275979D+02  0.208575D+01
      2  -0.807541D+01 -0.166219D+01 -0.190115D+01 -0.162375D+02 -0.123621D+01
      3  -0.590029D+01 -0.451694D+01 -0.147073D+01 -0.113604D+02 -0.849537D+00
      4   0.101394D+02  0.217748D+01  0.335042D+01  0.585162D+00  0.520315D+01
      5   0.491078D+01  0.320484D+01  0.564424D+01  0.193206D+02  0.358938D+01
      6   0.112489D+01  0.139795D+01  0.154324D+01 -0.125115D+01  0.163930D+01
               216           217           218           219           220 
      1   0.125388D+02 -0.499977D+01 -0.364064D+01  0.102119D+02 -0.122776D+01
      2  -0.106341D+02 -0.441022D+01  0.104070D+01  0.343073D+01  0.178445D-01
      3  -0.190464D+01  0.940999D+01  0.259994D+01 -0.136426D+02  0.120991D+01
      4   0.269169D+01  0.957219D+01  0.233037D+01 -0.482687D+01  0.227025D+01
      5   0.156805D+02 -0.163702D+02 -0.271342D+00  0.101073D+02  0.201856D+00
      6  -0.130225D+01 -0.362922D+01 -0.635407D+01  0.803589D+01 -0.360121D+01
               221           222           223           224           225 
      1  -0.270954D+01  0.781559D+00  0.677806D+01  0.137141D+01 -0.895824D+01
      2   0.302503D+01 -0.225601D+01  0.244113D+01 -0.526966D+00 -0.763101D+01
      3  -0.315488D+00  0.147445D+01 -0.921919D+01 -0.844442D+00  0.165892D+02
      4   0.274373D+00 -0.121701D+01 -0.416709D+01 -0.146072D+01  0.396355D+01
      5  -0.253046D+01  0.243006D+01  0.983180D+01  0.150556D+01 -0.626635D+01
      6  -0.260169D+01  0.287888D+01  0.405195D+01  0.326049D+01 -0.552878D+01
               226           227           228           229           230 
      1   0.813817D+01  0.195008D+01  0.165770D+01  0.292132D+01 -0.355064D+00
      2  -0.169676D+02 -0.323384D+01 -0.169692D+02 -0.622271D+01 -0.711525D+00
      3   0.882947D+01  0.128377D+01  0.153115D+02  0.330140D+01  0.106659D+01
      4  -0.393016D+01  0.385688D+01 -0.455098D+01  0.252234D+01  0.128694D+00
      5   0.230849D+02  0.979013D+00  0.246841D+02  0.663514D+01  0.498525D+01
      6  -0.203418D+01  0.547110D+01 -0.357574D+01  0.402306D+01  0.168134D+01
               231           232           233           234           235 
      1  -0.168969D+01  0.108793D+01 -0.856837D-01 -0.709696D+01 -0.134145D+00
      2  -0.760997D+01 -0.141537D+02 -0.243848D+01 -0.242211D+02  0.219322D+01
      3   0.929966D+01  0.130657D+02  0.252416D+01  0.313181D+02 -0.205908D+01
      4   0.226029D+01 -0.374263D+01  0.208460D+01 -0.284914D+01 -0.506423D+01
      5   0.769727D+01  0.203108D+02  0.160430D+01  0.266944D+02  0.246626D+01
      6   0.407988D+01 -0.225034D+01  0.468852D+01 -0.440974D+01 -0.371425D+01
               236           237           238           239           240 
      1  -0.922119D+00 -0.205548D+00 -0.941992D-01 -0.180413D+02  0.483506D+01
      2  -0.418695D+01 -0.172361D+01 -0.557516D+01  0.389186D+02 -0.176542D+01
      3   0.510907D+01  0.192915D+01  0.566936D+01 -0.208773D+02 -0.306965D+01
      4   0.925402D+01 -0.183311D+01  0.987504D+01 -0.194628D+02  0.292734D+01
      5  -0.359639D+01  0.473517D+01 -0.412756D+01  0.564233D+01 -0.290109D+01
      6   0.417187D+01 -0.167549D+01  0.533068D+01 -0.259718D+02  0.100733D+02
               241           242           243 
      1  -0.730012D+00  0.766937D+00 -0.949231D+00
      2  -0.183565D+01  0.356664D+01  0.214473D+01
      3   0.256567D+01 -0.433358D+01 -0.119550D+01
      4   0.778758D+00 -0.168950D+01 -0.184733D+01
      5   0.272658D+01 -0.723808D+00  0.101371D+01
      6  -0.766368D+00  0.432650D+01 -0.775856D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:05:26 2021, MaxMem= 17179869184 cpu:           20422.6 elap:            1706.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45538 -10.52752 -10.45748 -10.45123 -10.44884
 Alpha  occ. eigenvalues --  -10.44498 -10.44248 -10.44099 -10.43314 -10.43291
 Alpha  occ. eigenvalues --  -10.42758  -1.17184  -1.03092  -0.90820  -0.90124
 Alpha  occ. eigenvalues --   -0.87274  -0.81563  -0.79779  -0.76979  -0.71040
 Alpha  occ. eigenvalues --   -0.66532  -0.62197  -0.61044  -0.60676  -0.59014
 Alpha  occ. eigenvalues --   -0.56557  -0.54262  -0.53111  -0.52287  -0.51649
 Alpha  occ. eigenvalues --   -0.51056  -0.50084  -0.49653  -0.48703  -0.47478
 Alpha  occ. eigenvalues --   -0.45531  -0.45258  -0.44007  -0.42635  -0.41814
 Alpha  occ. eigenvalues --   -0.39935  -0.34501
 Alpha virt. eigenvalues --    0.04324   0.05895   0.06043   0.06185   0.06612
 Alpha virt. eigenvalues --    0.08565   0.08872   0.09252   0.10063   0.11587
 Alpha virt. eigenvalues --    0.13508   0.14136   0.14606   0.14869   0.15227
 Alpha virt. eigenvalues --    0.15682   0.16372   0.17700   0.18475   0.19124
 Alpha virt. eigenvalues --    0.20050   0.20491   0.21414   0.21560   0.22391
 Alpha virt. eigenvalues --    0.23171   0.23552   0.24062   0.25246   0.25542
 Alpha virt. eigenvalues --    0.26528   0.27243   0.27833   0.28263   0.29288
 Alpha virt. eigenvalues --    0.30048   0.30617   0.30813   0.32166   0.32515
 Alpha virt. eigenvalues --    0.33240   0.33608   0.34063   0.34363   0.34860
 Alpha virt. eigenvalues --    0.35564   0.35763   0.36048   0.36585   0.36772
 Alpha virt. eigenvalues --    0.37237   0.37517   0.37848   0.38051   0.38753
 Alpha virt. eigenvalues --    0.39345   0.39738   0.39802   0.40564   0.40905
 Alpha virt. eigenvalues --    0.41314   0.41679   0.42254   0.42301   0.42777
 Alpha virt. eigenvalues --    0.43492   0.43615   0.44074   0.44193   0.44568
 Alpha virt. eigenvalues --    0.45236   0.45564   0.46052   0.46858   0.47476
 Alpha virt. eigenvalues --    0.48228   0.48587   0.48747   0.49341   0.50070
 Alpha virt. eigenvalues --    0.50310   0.50781   0.52278   0.52652   0.53632
 Alpha virt. eigenvalues --    0.54008   0.54213   0.54564   0.54902   0.55560
 Alpha virt. eigenvalues --    0.55970   0.56319   0.57314   0.57574   0.57948
 Alpha virt. eigenvalues --    0.58417   0.58661   0.59184   0.60079   0.60496
 Alpha virt. eigenvalues --    0.61039   0.61258   0.61958   0.62004   0.63581
 Alpha virt. eigenvalues --    0.64153   0.64550   0.64998   0.65157   0.65333
 Alpha virt. eigenvalues --    0.66609   0.67107   0.67548   0.68272   0.68540
 Alpha virt. eigenvalues --    0.68982   0.70134   0.70187   0.71064   0.71416
 Alpha virt. eigenvalues --    0.72375   0.73214   0.73499   0.75329   0.75804
 Alpha virt. eigenvalues --    0.76488   0.77555   0.78154   0.80156   0.80407
 Alpha virt. eigenvalues --    0.80964   0.82632   0.83019   0.83656   0.84928
 Alpha virt. eigenvalues --    0.85389   0.85866   0.87525   0.88445   0.89348
 Alpha virt. eigenvalues --    0.89573   0.91499   0.92175   0.93483   0.94886
 Alpha virt. eigenvalues --    0.96920   1.00315   1.00569   1.03681   1.04014
 Alpha virt. eigenvalues --    1.04597   1.05540   1.06388   1.07162   1.07854
 Alpha virt. eigenvalues --    1.08431   1.08737   1.09345   1.10271   1.10585
 Alpha virt. eigenvalues --    1.11585   1.11870   1.13415   1.14544   1.15068
 Alpha virt. eigenvalues --    1.16237   1.16371   1.18246   1.19095   1.21036
 Alpha virt. eigenvalues --    1.22705   1.22906   1.25778   1.27402   1.28561
 Alpha virt. eigenvalues --    1.31940   1.34389   1.35017   1.35850   1.36579
 Alpha virt. eigenvalues --    1.37808   1.38921   1.41096   1.42983   1.43293
 Alpha virt. eigenvalues --    1.44679   1.45843   1.48125   1.50458   1.52941
 Alpha virt. eigenvalues --    1.54266   1.54833   1.57282   1.58037   1.58565
 Alpha virt. eigenvalues --    1.61367   1.63288   1.65683   1.66683   1.67029
 Alpha virt. eigenvalues --    1.70396   1.72712   1.76132   1.78011   1.78189
 Alpha virt. eigenvalues --    1.80287   1.80984   1.83697   1.84862   1.85807
 Alpha virt. eigenvalues --    1.87164   1.89080   1.89501   1.91167   1.92682
 Alpha virt. eigenvalues --    1.93677   1.94705   1.96876   1.98071   1.98171
 Alpha virt. eigenvalues --    1.99218   2.00161   2.01840   2.02268   2.03190
 Alpha virt. eigenvalues --    2.04400   2.05531   2.06045   2.08483   2.09931
 Alpha virt. eigenvalues --    2.10418   2.11681   2.12647   2.13794   2.15187
 Alpha virt. eigenvalues --    2.16048   2.16867   2.18295   2.19255   2.20132
 Alpha virt. eigenvalues --    2.21226   2.23836   2.24713   2.25458   2.27880
 Alpha virt. eigenvalues --    2.28257   2.29495   2.30088   2.32225   2.33472
 Alpha virt. eigenvalues --    2.35487   2.36112   2.37252   2.39547   2.40956
 Alpha virt. eigenvalues --    2.41259   2.43986   2.45716   2.47277   2.48114
 Alpha virt. eigenvalues --    2.48788   2.51095   2.51560   2.54883   2.55478
 Alpha virt. eigenvalues --    2.58364   2.58664   2.60281   2.64275   2.64882
 Alpha virt. eigenvalues --    2.68759   2.69724   2.70495   2.70924   2.72859
 Alpha virt. eigenvalues --    2.74780   2.76285   2.77124   2.78414   2.81242
 Alpha virt. eigenvalues --    2.82045   2.86106   2.87191   2.88459   2.91043
 Alpha virt. eigenvalues --    2.93682   3.02819   3.03447   3.06132   3.07726
 Alpha virt. eigenvalues --    3.10338   3.10618   3.14620   3.16562   3.18495
 Alpha virt. eigenvalues --    3.20405   3.21771   3.23926   3.25666   3.27047
 Alpha virt. eigenvalues --    3.29771   3.30251   3.32761   3.34021   3.34851
 Alpha virt. eigenvalues --    3.37459   3.42023   3.56102   3.97473
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.967092  -0.737098  -0.299389  -0.024162  -1.539538  -0.285412
     2  C   -0.737098  13.414690  -0.358831   0.301081  -0.189440  -1.370036
     3  C   -0.299389  -0.358831   5.708976  -0.056813   0.136726   0.086973
     4  C   -0.024162   0.301081  -0.056813   5.100547   0.021653  -0.225094
     5  C   -1.539538  -0.189440   0.136726   0.021653   6.720092   0.252293
     6  C   -0.285412  -1.370036   0.086973  -0.225094   0.252293   7.359724
     7  C   -0.136678   0.004933  -0.137495   0.124865  -0.066190  -0.247490
     8  C   -0.329286  -1.629713  -0.005432  -0.026464   0.068191   0.068749
     9  O   -0.020820  -0.218466   0.014712   0.014891  -0.015298   0.350357
    10  C   -1.537015  -0.139806  -0.029726  -0.088304  -0.020463   0.089324
    11  C   -1.341638  -0.129519   0.038003   0.038945   0.076202  -0.167795
    12  H   -0.021566  -0.023929  -0.034017  -0.141478  -0.051571  -0.072272
    13  H   -0.043030  -0.038120  -0.032806  -0.100493   0.069937   0.081304
    14  H    0.070713  -0.028938   0.077651   0.026071  -0.011037  -0.043074
    15  H   -0.068925  -0.050260  -0.114540   0.345045  -0.060475   0.052817
    16  H    0.026562  -0.022923  -0.023229   0.034347  -0.101383  -0.066993
    17  H    0.027913  -0.090453   0.015681  -0.065709   0.048432   0.176405
    18  H   -0.549526  -0.115010   0.009948  -0.166902   0.165339  -0.060699
    19  H    0.028543   0.302507  -0.021598   0.001260  -0.009140   0.032983
    20  H   -0.132913   0.194937  -0.002339   0.001351   0.008589   0.007291
    21  H   -0.052073   0.131367  -0.011945  -0.001038   0.004419  -0.027912
    22  H   -0.060054  -0.048762  -0.038644  -0.030468  -0.039447   0.020745
    23  H    0.301081  -0.090060  -0.015168   0.009105   0.007653  -0.000501
    24  H    0.136608   0.018821   0.018972  -0.018268   0.056505  -0.015506
    25  H    0.131087  -0.127517   0.002346   0.003665  -0.032717   0.004705
    26  H    0.049904  -0.002510  -0.000174  -0.005799   0.066941   0.001838
    27  H    0.276581  -0.043021   0.000476  -0.001600  -0.005210   0.052092
               7          8          9         10         11         12
     1  C   -0.136678  -0.329286  -0.020820  -1.537015  -1.341638  -0.021566
     2  C    0.004933  -1.629713  -0.218466  -0.139806  -0.129519  -0.023929
     3  C   -0.137495  -0.005432   0.014712  -0.029726   0.038003  -0.034017
     4  C    0.124865  -0.026464   0.014891  -0.088304   0.038945  -0.141478
     5  C   -0.066190   0.068191  -0.015298  -0.020463   0.076202  -0.051571
     6  C   -0.247490   0.068749   0.350357   0.089324  -0.167795  -0.072272
     7  C    5.344621  -0.008956   0.016279   0.050915  -0.023029   0.005408
     8  C   -0.008956   5.758766   0.023539   0.058657   0.045415  -0.052260
     9  O    0.016279   0.023539   7.841519  -0.000886   0.035240   0.013350
    10  C    0.050915   0.058657  -0.000886   6.039561  -0.333439   0.017567
    11  C   -0.023029   0.045415   0.035240  -0.333439   5.796673  -0.005821
    12  H    0.005408  -0.052260   0.013350   0.017567  -0.005821   2.391085
    13  H   -0.048946   0.103270   0.005999   0.016766   0.002903  -0.873828
    14  H   -0.057615   0.003460   0.007426   0.004419   0.002104   0.263519
    15  H    0.024222  -0.006100  -0.006890  -0.058302  -0.005197  -0.543200
    16  H    0.404920  -0.009908  -0.041448  -0.004729  -0.021075   0.002765
    17  H   -0.027471   0.007206   0.016432   0.001182  -0.002737   0.000321
    18  H   -0.087772   0.007780   0.017413   0.108780   0.105942   0.011394
    19  H    0.001879   0.014500  -0.019159  -0.000168   0.002499  -0.044615
    20  H    0.000114   0.122444   0.000738   0.026808  -0.006186   0.004504
    21  H    0.002540   0.086363   0.023218  -0.006469   0.018226   0.050348
    22  H    0.003328   0.015729  -0.001987   0.311144   0.014126   0.015738
    23  H   -0.001090   0.056195   0.002329  -0.188537   0.031176  -0.013410
    24  H   -0.005146  -0.002460   0.001218  -0.139853   0.047468   0.004927
    25  H   -0.029798   0.019633   0.035711   0.002828   0.298124   0.000256
    26  H   -0.023647   0.003268   0.001048   0.030351  -0.049462   0.000397
    27  H   -0.002086   0.018269  -0.012674   0.052435  -0.220375  -0.000755
              13         14         15         16         17         18
     1  C   -0.043030   0.070713  -0.068925   0.026562   0.027913  -0.549526
     2  C   -0.038120  -0.028938  -0.050260  -0.022923  -0.090453  -0.115010
     3  C   -0.032806   0.077651  -0.114540  -0.023229   0.015681   0.009948
     4  C   -0.100493   0.026071   0.345045   0.034347  -0.065709  -0.166902
     5  C    0.069937  -0.011037  -0.060475  -0.101383   0.048432   0.165339
     6  C    0.081304  -0.043074   0.052817  -0.066993   0.176405  -0.060699
     7  C   -0.048946  -0.057615   0.024222   0.404920  -0.027471  -0.087772
     8  C    0.103270   0.003460  -0.006100  -0.009908   0.007206   0.007780
     9  O    0.005999   0.007426  -0.006890  -0.041448   0.016432   0.017413
    10  C    0.016766   0.004419  -0.058302  -0.004729   0.001182   0.108780
    11  C    0.002903   0.002104  -0.005197  -0.021075  -0.002737   0.105942
    12  H   -0.873828   0.263519  -0.543200   0.002765   0.000321   0.011394
    13  H    2.234616  -0.341642   0.217537   0.000188  -0.004750   0.003011
    14  H   -0.341642   2.236672  -1.046098   0.007660  -0.014037   0.112598
    15  H    0.217537  -1.046098   2.677888  -0.008680   0.009200  -0.232194
    16  H    0.000188   0.007660  -0.008680   1.506257  -0.504267  -0.117253
    17  H   -0.004750  -0.014037   0.009200  -0.504267   1.537144   0.047817
    18  H    0.003011   0.112598  -0.232194  -0.117253   0.047817   2.331115
    19  H    0.030314  -0.000330   0.000785   0.000158   0.000278  -0.000005
    20  H    0.000295  -0.000049  -0.000242  -0.000970   0.000612   0.002025
    21  H   -0.014800   0.000752  -0.002224  -0.000323   0.000141   0.001389
    22  H    0.006308  -0.001770  -0.008546   0.000838   0.001018   0.010138
    23  H    0.003170   0.000454   0.003919  -0.000684  -0.000054   0.004305
    24  H   -0.000498   0.002763  -0.000437  -0.001427  -0.000731   0.043848
    25  H    0.000889   0.001224   0.000556  -0.062622   0.007603   0.002625
    26  H    0.000245  -0.001435  -0.000296  -0.004203   0.003555   0.041227
    27  H    0.000189  -0.000167   0.000017   0.000059   0.001234   0.002211
              19         20         21         22         23         24
     1  C    0.028543  -0.132913  -0.052073  -0.060054   0.301081   0.136608
     2  C    0.302507   0.194937   0.131367  -0.048762  -0.090060   0.018821
     3  C   -0.021598  -0.002339  -0.011945  -0.038644  -0.015168   0.018972
     4  C    0.001260   0.001351  -0.001038  -0.030468   0.009105  -0.018268
     5  C   -0.009140   0.008589   0.004419  -0.039447   0.007653   0.056505
     6  C    0.032983   0.007291  -0.027912   0.020745  -0.000501  -0.015506
     7  C    0.001879   0.000114   0.002540   0.003328  -0.001090  -0.005146
     8  C    0.014500   0.122444   0.086363   0.015729   0.056195  -0.002460
     9  O   -0.019159   0.000738   0.023218  -0.001987   0.002329   0.001218
    10  C   -0.000168   0.026808  -0.006469   0.311144  -0.188537  -0.139853
    11  C    0.002499  -0.006186   0.018226   0.014126   0.031176   0.047468
    12  H   -0.044615   0.004504   0.050348   0.015738  -0.013410   0.004927
    13  H    0.030314   0.000295  -0.014800   0.006308   0.003170  -0.000498
    14  H   -0.000330  -0.000049   0.000752  -0.001770   0.000454   0.002763
    15  H    0.000785  -0.000242  -0.002224  -0.008546   0.003919  -0.000437
    16  H    0.000158  -0.000970  -0.000323   0.000838  -0.000684  -0.001427
    17  H    0.000278   0.000612   0.000141   0.001018  -0.000054  -0.000731
    18  H   -0.000005   0.002025   0.001389   0.010138   0.004305   0.043848
    19  H    0.676134  -0.053713  -0.076777   0.000253  -0.000713  -0.000431
    20  H   -0.053713   0.750605  -0.053021   0.003041  -0.004598  -0.001586
    21  H   -0.076777  -0.053021   0.760435  -0.008505   0.007945   0.002693
    22  H    0.000253   0.003041  -0.008505   1.179721  -0.147910  -0.164548
    23  H   -0.000713  -0.004598   0.007945  -0.147910   0.978855  -0.077939
    24  H   -0.000431  -0.001586   0.002693  -0.164548  -0.077939   0.971302
    25  H   -0.002405  -0.003205   0.002399  -0.005878   0.008040   0.007804
    26  H   -0.000184   0.004954  -0.001208   0.011930  -0.023940   0.006580
    27  H    0.001433   0.012858  -0.003794   0.007087   0.020655  -0.025011
              25         26         27
     1  C    0.131087   0.049904   0.276581
     2  C   -0.127517  -0.002510  -0.043021
     3  C    0.002346  -0.000174   0.000476
     4  C    0.003665  -0.005799  -0.001600
     5  C   -0.032717   0.066941  -0.005210
     6  C    0.004705   0.001838   0.052092
     7  C   -0.029798  -0.023647  -0.002086
     8  C    0.019633   0.003268   0.018269
     9  O    0.035711   0.001048  -0.012674
    10  C    0.002828   0.030351   0.052435
    11  C    0.298124  -0.049462  -0.220375
    12  H    0.000256   0.000397  -0.000755
    13  H    0.000889   0.000245   0.000189
    14  H    0.001224  -0.001435  -0.000167
    15  H    0.000556  -0.000296   0.000017
    16  H   -0.062622  -0.004203   0.000059
    17  H    0.007603   0.003555   0.001234
    18  H    0.002625   0.041227   0.002211
    19  H   -0.002405  -0.000184   0.001433
    20  H   -0.003205   0.004954   0.012858
    21  H    0.002399  -0.001208  -0.003794
    22  H   -0.005878   0.011930   0.007087
    23  H    0.008040  -0.023940   0.020655
    24  H    0.007804   0.006580  -0.025011
    25  H    1.061394  -0.217328  -0.093903
    26  H   -0.217328   1.039385  -0.075012
    27  H   -0.093903  -0.075012   0.901627
 Mulliken charges:
               1
     1  C   -4.836961
     2  C   -2.913924
     3  C    1.071682
     4  C    0.929763
     5  C    0.438938
     6  C   -0.054817
     7  C    0.919383
     8  C    1.589146
     9  O   -0.083792
    10  C    1.736959
    11  C    1.753228
    12  H    0.097143
    13  H   -0.278027
    14  H   -0.271291
    15  H   -0.119380
    16  H    0.008363
    17  H   -0.191964
    18  H   -0.699544
    19  H    0.135715
    20  H    0.117654
    21  H    0.167854
    22  H   -0.044626
    23  H    0.129722
    24  H    0.134331
    25  H   -0.015515
    26  H    0.143575
    27  H    0.136382
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.836961
     2  C   -2.913924
     3  C    0.890799
     4  C    0.539093
     5  C   -0.260606
     6  C   -0.054817
     7  C    0.735782
     8  C    2.010369
     9  O   -0.083792
    10  C    1.956386
    11  C    2.017671
 Electronic spatial extent (au):  <R**2>=           1475.2004
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.2713    Y=              0.9780    Z=             -0.1531  Tot=              3.4178
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -79.0371   YY=            -66.9960   ZZ=            -66.5576
   XY=             -2.5035   XZ=              1.2412   YZ=              0.4426
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.1736   YY=              3.8676   ZZ=              4.3060
   XY=             -2.5035   XZ=              1.2412   YZ=              0.4426
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             27.7613  YYY=              0.2724  ZZZ=              2.4943  XYY=             -3.9184
  XXY=              6.7933  XXZ=             -3.9826  XZZ=             -2.7879  YZZ=              0.7338
  YYZ=              0.7325  XYZ=             -0.2104
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -895.0740 YYYY=           -643.8868 ZZZZ=           -551.7466 XXXY=             -7.5993
 XXXZ=             15.9262 YYYX=             -6.1420 YYYZ=             -0.9649 ZZZX=             -4.2642
 ZZZY=              4.2096 XXYY=           -238.4525 XXZZ=           -217.9797 YYZZ=           -203.3529
 XXYZ=              2.2570 YYXZ=             -0.9330 ZZXY=              2.1041
 N-N= 6.881944666599D+02 E-N=-2.453728115481D+03  KE= 4.595107758077D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:05:26 2021, MaxMem= 17179869184 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.19406424D+00 3.61083692D-01-5.72722282D-02
 Polarizability= 1.14673425D+02 7.41876557D-01 1.11152414D+02
                -7.58282032D-02 1.27064056D+00 1.07423950D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0292    0.0296        0.4774    0.4782
 2     -0.0292   -0.0296       -0.5849   -0.5881       -2.4869   -2.4987
 3     -0.4774   -0.4782        4.3645    4.3762        0.5864    0.5881
 4      0.5849    0.5881        0.0000    0.0000       -0.4782   -0.4782
 5     -1.8776   -1.8775        0.4782    0.4782        0.0237    0.0296
 6     -0.5864   -0.5881       -0.0237   -0.0296       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0887   -0.0887        1.4345    1.4345
 2      1.7642    1.7642       -0.0000    0.0000        1.4345    1.4345
 3      1.7642    1.7642       -0.0887   -0.0887       -0.0000    0.0000
 4     -0.0887   -0.0887       -1.7642   -1.7642       -7.4961   -7.4961
 5     -1.4345   -1.4345       13.1285   13.1285        1.7642    1.7642
 6     -5.6324   -5.6324        1.4345    1.4345        0.0887    0.0887
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0933    0.0000       -0.1571   -0.1183       -1.8981   -1.9127
 2     -0.0128    0.1183        2.1102    2.3522       10.0634    9.9947
 3      1.7106    1.9127      -17.7827  -17.5047       -2.2774   -2.3522
 4     -2.5142   -2.3522        0.0202    0.0000        1.9621    1.9127
 5      7.6213    7.5099       -1.7363   -1.9127        0.1549   -0.1183
 6      2.2708    2.3522       -0.0476    0.1183        0.0335    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.1136    0.0000        7.1095    7.1472        3.3921    2.3137
 2     -7.2158   -7.1472        3.2002    3.5699        7.7187    7.8581
 3     -1.9727   -2.3137        9.0176    8.7433       -2.2187   -3.5699
 4     -4.1272   -3.5699       -0.5413    0.0000       -2.9224   -2.3137
 5    -16.6294  -16.6014        2.4560    2.3137        6.9789    7.1472
 6      3.2693    3.5699       -6.5834   -7.1472       -0.2086    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.7455   -8.1500       12.9890   12.4698       21.8098   21.9395
 2     -9.5347  -10.1698       19.7293   19.8700       21.9697   21.9395
 3    -10.4426  -10.1698       12.6147   12.4698       19.2742   19.9689
 4     -7.6697   -7.4002        1.7945    2.0198       11.6181   11.6230
 5     -1.6277   -1.9706       13.2714   12.7083       -0.9246   -2.0198
 6    -24.5688  -24.3313        2.0950    1.9706        7.9116    7.4002
 Full mass-weighted force constant matrix:
 Low frequencies ---  -15.6774   -6.3789   -0.0009   -0.0004   -0.0003    2.5755
 Low frequencies ---  107.8644  168.8419  183.4749
 Diagonal vibrational polarizability:
        4.4992302       6.3154133       7.5207719
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    107.8534               168.8412               183.4743
 Red. masses --      4.5339                 1.1763                 1.1199
 Frc consts  --      0.0311                 0.0198                 0.0222
 IR Inten    --      3.8144                 0.1064                 0.0775
 RamAct Fr= 1--      0.6729                 0.1574                 0.0515
  Dep-P Fr= 1--      0.7489                 0.7201                 0.7484
  Dep-U Fr= 1--      0.8564                 0.8373                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0960                 0.0220                 0.0073
 AlphaG Fr= 1--      0.0005                -0.0009                 0.0003
 Gamma2 Fr= 1--      0.1383                -0.0759                 0.0595
 Delta2 Fr= 1--     -0.0089                -0.0006                -0.0096
 Raman1 Fr= 1--       2.691                  0.630                  0.206
 ROA1   Fr= 1--      12.994                 -7.301                  5.399
 CID1   Fr= 1--       4.828                -11.597                 26.231
 Raman2 Fr= 1--       1.152                  0.264                  0.088
 ROA2   Fr= 1--       3.391                 -1.816                  1.504
 CID2   Fr= 1--       2.942                 -6.889                 17.071
 Raman3 Fr= 1--       2.305                  0.527                  0.176
 ROA3   Fr= 1--      12.994                 -7.301                  5.399
 CID3   Fr= 1--       5.637                -13.851                 30.641
 RC180  Fr= 1--       0.713                  0.675                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.03
     9   8     0.09  -0.25   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.02  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.03   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.02   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.10    -0.27  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.02     0.58  -0.12  -0.03
    21   1     0.06   0.08  -0.07     0.08  -0.02   0.08    -0.20   0.24  -0.47
    22   1    -0.02  -0.20  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.16  -0.03   0.35    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.01   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.3103               224.8310               241.8621
 Red. masses --      1.9044                 1.1543                 2.5418
 Frc consts  --      0.0530                 0.0344                 0.0876
 IR Inten    --      0.2196                 0.3175                 0.7529
 RamAct Fr= 1--      0.2924                 0.1473                 0.6737
  Dep-P Fr= 1--      0.7458                 0.5885                 0.5366
  Dep-U Fr= 1--      0.8544                 0.7409                 0.6985
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0028
 Beta2  Fr= 1--      0.0416                 0.0182                 0.0784
 AlphaG Fr= 1--     -0.0001                 0.0028                 0.0030
 Gamma2 Fr= 1--      0.1380                -0.0481                 0.1500
 Delta2 Fr= 1--      0.0191                -0.0161                 0.0710
 Raman1 Fr= 1--       1.169                  0.589                  2.695
 ROA1   Fr= 1--      13.858                 -5.131                 16.668
 CID1   Fr= 1--      11.850                 -8.709                  6.185
 Raman2 Fr= 1--       0.500                  0.218                  0.941
 ROA2   Fr= 1--       3.159                 -1.025                  3.031
 CID2   Fr= 1--       6.323                 -4.698                  3.220
 Raman3 Fr= 1--       0.999                  0.437                  1.882
 ROA3   Fr= 1--      13.858                 -5.131                 16.668
 CID3   Fr= 1--      13.869                -11.754                  8.855
 RC180  Fr= 1--       0.709                  0.482                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.00    -0.10   0.02   0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.02   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.06
     9   8     0.02   0.01   0.04    -0.00   0.03   0.01    -0.02   0.09   0.04
    10   6     0.08   0.14   0.08     0.02   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.02    -0.10   0.02  -0.06    -0.17   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.08   0.03   0.06    -0.15   0.03   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.00    -0.01   0.02  -0.00
    15   1    -0.02   0.03  -0.01     0.01  -0.06  -0.03    -0.05  -0.03  -0.08
    16   1     0.01   0.02  -0.00     0.08  -0.06   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.03     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.03   0.31     0.05   0.01  -0.09     0.31  -0.28  -0.01
    20   1     0.15  -0.01   0.09    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.25   0.01  -0.19     0.04  -0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.09  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.20  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.35  -0.09    -0.01  -0.11   0.03
    25   1    -0.03  -0.03  -0.05    -0.18  -0.30  -0.25    -0.14  -0.00  -0.10
    26   1     0.03  -0.33  -0.08    -0.35   0.29   0.18    -0.10  -0.30  -0.03
    27   1    -0.23  -0.13  -0.24     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.3832               290.0213               300.8236
 Red. masses --      2.2777                 1.9455                 2.8745
 Frc consts  --      0.0924                 0.0964                 0.1533
 IR Inten    --      0.6152                 0.3555                 1.8442
 RamAct Fr= 1--      0.8244                 0.4092                 0.5912
  Dep-P Fr= 1--      0.5903                 0.4003                 0.6385
  Dep-U Fr= 1--      0.7424                 0.5717                 0.7793
 Alpha2 Fr= 1--      0.0025                 0.0030                 0.0012
 Beta2  Fr= 1--      0.1020                 0.0390                 0.0768
 AlphaG Fr= 1--      0.0031                 0.0090                -0.0024
 Gamma2 Fr= 1--     -0.1095                 0.0209                 0.1124
 Delta2 Fr= 1--     -0.0826                 0.0002                 0.0623
 Raman1 Fr= 1--       3.298                  1.637                  2.365
 ROA1   Fr= 1--     -13.157                  2.009                 12.786
 CID1   Fr= 1--      -3.990                  1.227                  5.407
 Raman2 Fr= 1--       1.224                  0.468                  0.921
 ROA2   Fr= 1--      -1.967                  0.500                  2.200
 CID2   Fr= 1--      -1.607                  1.068                  2.387
 Raman3 Fr= 1--       2.448                  0.936                  1.843
 ROA3   Fr= 1--     -13.157                  2.009                 12.786
 CID3   Fr= 1--      -5.375                  2.147                  6.938
 RC180  Fr= 1--       0.485                  0.143                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03   0.00     0.02   0.05  -0.04    -0.05  -0.02  -0.00
     3   6     0.03   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.10   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.07  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.28   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.18  -0.09  -0.23     0.32  -0.13  -0.29
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.06  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.03   0.06   0.09
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.02
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.03
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.04  -0.04   0.04
    19   1    -0.04  -0.16   0.25    -0.01  -0.06   0.11     0.13  -0.10  -0.12
    20   1     0.05   0.11   0.33     0.04   0.09   0.15     0.23  -0.12  -0.17
    21   1    -0.03  -0.14   0.21    -0.01  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.17   0.03  -0.10
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.03  -0.19     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.11  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.07   0.06    -0.07   0.01  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.08    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.7229               395.1090               415.9510
 Red. masses --      2.4671                 2.4238                 2.1458
 Frc consts  --      0.2151                 0.2229                 0.2187
 IR Inten    --      0.7434                 0.1689                 1.2041
 RamAct Fr= 1--      0.3778                 1.7233                 0.4389
  Dep-P Fr= 1--      0.5212                 0.2253                 0.5438
  Dep-U Fr= 1--      0.6853                 0.3677                 0.7045
 Alpha2 Fr= 1--      0.0017                 0.0219                 0.0017
 Beta2  Fr= 1--      0.0431                 0.1056                 0.0515
 AlphaG Fr= 1--     -0.0075                -0.0108                -0.0081
 Gamma2 Fr= 1--     -0.1042                -0.2039                 0.2267
 Delta2 Fr= 1--     -0.0231                -0.1965                 0.1331
 Raman1 Fr= 1--       1.511                  6.893                  1.755
 ROA1   Fr= 1--     -10.747                -25.862                 26.018
 CID1   Fr= 1--      -7.112                 -3.752                 14.821
 Raman2 Fr= 1--       0.518                  1.267                  0.618
 ROA2   Fr= 1--      -2.317                 -3.321                  4.375
 CID2   Fr= 1--      -4.475                 -2.620                  7.076
 Raman3 Fr= 1--       1.035                  2.535                  1.237
 ROA3   Fr= 1--     -10.747                -25.862                 26.018
 CID3   Fr= 1--     -10.379                -10.203                 21.039
 RC180  Fr= 1--       0.371                 -0.265                  0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.10    -0.00   0.02  -0.01    -0.03   0.08   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.02  -0.09   0.08    -0.02   0.06  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.05     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.02   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.03   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.00   0.03
    24   1     0.10  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.04     0.04  -0.09   0.04
    26   1    -0.13  -0.19   0.17     0.19  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.4676               525.0170               560.6597
 Red. masses --      3.2728                 2.9420                 4.2152
 Frc consts  --      0.4378                 0.4778                 0.7807
 IR Inten    --      0.6315                 4.2454                 2.3808
 RamAct Fr= 1--      2.3399                 0.5909                 5.0230
  Dep-P Fr= 1--      0.6176                 0.3935                 0.2474
  Dep-U Fr= 1--      0.7636                 0.5647                 0.3966
 Alpha2 Fr= 1--      0.0057                 0.0045                 0.0600
 Beta2  Fr= 1--      0.2978                 0.0556                 0.3320
 AlphaG Fr= 1--     -0.0068                 0.0033                -0.0756
 Gamma2 Fr= 1--     -1.0342                 0.5311                -0.2040
 Delta2 Fr= 1--     -0.0660                 0.1047                 0.2652
 Raman1 Fr= 1--       9.360                  2.364                 20.092
 ROA1   Fr= 1--    -101.394                 54.339                -11.095
 CID1   Fr= 1--     -10.833                 22.988                 -0.552
 Raman2 Fr= 1--       3.574                  0.667                  3.984
 ROA2   Fr= 1--     -24.293                 11.910                 -7.017
 CID2   Fr= 1--      -6.798                 17.844                 -1.761
 Raman3 Fr= 1--       7.147                  1.335                  7.969
 ROA3   Fr= 1--    -101.394                 54.339                -11.095
 CID3   Fr= 1--     -14.186                 40.706                 -1.392
 RC180  Fr= 1--       0.527                  0.129                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.08
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.07  -0.19   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.03   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00   0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.18    -0.06   0.02  -0.13
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.11   0.04  -0.11     0.09   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.09  -0.11   0.11     0.07  -0.04   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.05    -0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.11  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.09  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.06  -0.05
    21   1    -0.05  -0.01  -0.03    -0.15  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.04     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.01    -0.15  -0.04   0.10
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.14    -0.06  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.11   0.04     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.05   0.21  -0.22
    27   1    -0.16   0.09  -0.14    -0.02  -0.01  -0.11     0.07   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.2037               619.5430               652.5346
 Red. masses --      3.6222                 2.6584                 3.7574
 Frc consts  --      0.7086                 0.6012                 0.9426
 IR Inten    --      0.8356                 0.9632                 2.1404
 RamAct Fr= 1--      2.4645                 2.2631                25.0973
  Dep-P Fr= 1--      0.5211                 0.5730                 0.0176
  Dep-U Fr= 1--      0.6852                 0.7286                 0.0345
 Alpha2 Fr= 1--      0.0110                 0.0075                 0.5352
 Beta2  Fr= 1--      0.2814                 0.2748                 0.1445
 AlphaG Fr= 1--     -0.0184                -0.0636                 0.3001
 Gamma2 Fr= 1--      0.4490                -0.0752                -0.3140
 Delta2 Fr= 1--     -0.5008                 0.3430                 0.0477
 Raman1 Fr= 1--       9.858                  9.052                100.389
 ROA1   Fr= 1--      27.079                  3.754                -28.621
 CID1   Fr= 1--       2.747                  0.415                 -0.285
 Raman2 Fr= 1--       3.377                  3.298                  1.734
 ROA2   Fr= 1--      14.783                 -4.549                 -7.918
 CID2   Fr= 1--       4.377                 -1.379                 -4.566
 Raman3 Fr= 1--       6.754                  6.595                  3.468
 ROA3   Fr= 1--      27.079                  3.754                -28.621
 CID3   Fr= 1--       4.009                  0.569                 -8.252
 RC180  Fr= 1--       0.370                  0.457                 -0.931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.02  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.06  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.09  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.04     0.04  -0.19  -0.18
     8   6     0.04   0.18   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.12   0.03  -0.21     0.04   0.03  -0.11    -0.04  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.23
    17   1     0.02   0.07   0.16    -0.16  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.11
    20   1     0.05   0.23   0.10     0.02   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.04  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.19  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.02    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.06  -0.03     0.04   0.09  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.3281               756.0539               836.2095
 Red. masses --      2.9996                 2.0838                 1.5196
 Frc consts  --      0.9018                 0.7018                 0.6261
 IR Inten    --      0.4383                 7.3510                 0.3252
 RamAct Fr= 1--      4.3071                 2.4844                 1.3571
  Dep-P Fr= 1--      0.5278                 0.7203                 0.1743
  Dep-U Fr= 1--      0.6910                 0.8374                 0.2969
 Alpha2 Fr= 1--      0.0186                 0.0013                 0.0197
 Beta2  Fr= 1--      0.4960                 0.3467                 0.0672
 AlphaG Fr= 1--      0.0373                 0.0089                 0.0699
 Gamma2 Fr= 1--      1.8591                -0.0881                -0.6513
 Delta2 Fr= 1--      0.6694                -0.1805                -0.1776
 Raman1 Fr= 1--      17.228                  9.937                  5.428
 ROA1   Fr= 1--     199.898                -14.231                -68.209
 CID1   Fr= 1--      11.603                 -1.432                -12.565
 Raman2 Fr= 1--       5.952                  4.161                  0.806
 ROA2   Fr= 1--      39.264                 -0.670                -14.211
 CID2   Fr= 1--       6.597                 -0.161                -17.634
 Raman3 Fr= 1--      11.904                  8.322                  1.612
 ROA3   Fr= 1--     199.898                -14.231                -68.209
 CID3   Fr= 1--      16.792                 -1.710                -42.319
 RC180  Fr= 1--       0.382                  0.675                 -0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.03  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.25   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.05   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.00  -0.02   0.12
    19   1    -0.04   0.02   0.03    -0.02   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35   0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.13     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.2119               873.5968               926.6827
 Red. masses --      2.6435                 2.1939                 2.5998
 Frc consts  --      1.1606                 0.9865                 1.3154
 IR Inten    --      1.9531                 0.4185                 1.1582
 RamAct Fr= 1--      3.3335                 6.8220                 4.5873
  Dep-P Fr= 1--      0.1084                 0.2223                 0.1565
  Dep-U Fr= 1--      0.1955                 0.3637                 0.2706
 Alpha2 Fr= 1--      0.0572                 0.0873                 0.0698
 Beta2  Fr= 1--      0.1086                 0.4136                 0.2069
 AlphaG Fr= 1--      0.0129                -0.1860                -0.0225
 Gamma2 Fr= 1--     -0.3560                -0.7265                 2.0074
 Delta2 Fr= 1--     -0.3045                -0.3268                 0.3058
 Raman1 Fr= 1--      13.334                 27.288                 18.349
 ROA1   Fr= 1--     -43.924                -80.207                202.496
 CID1   Fr= 1--      -3.294                 -2.939                 11.036
 Raman2 Fr= 1--       1.304                  4.963                  2.483
 ROA2   Fr= 1--      -6.109                -14.822                 45.731
 CID2   Fr= 1--      -4.686                 -2.987                 18.421
 Raman3 Fr= 1--       2.607                  9.926                  4.965
 ROA3   Fr= 1--     -43.924                -80.207                202.496
 CID3   Fr= 1--     -16.848                 -8.081                 40.783
 RC180  Fr= 1--      -0.609                 -0.273                 -0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.05   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.01  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.09   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.04   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.03  -0.08   0.07     0.12  -0.06   0.08     0.06   0.06   0.22
    13   1    -0.07  -0.23   0.10    -0.05  -0.25  -0.33     0.04  -0.08   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.05   0.06  -0.13
    15   1    -0.03  -0.10  -0.24     0.05  -0.09  -0.19    -0.02  -0.12  -0.20
    16   1    -0.30   0.07   0.06    -0.41  -0.08   0.01    -0.21   0.10   0.09
    17   1    -0.06  -0.10  -0.15     0.08   0.02  -0.06     0.07   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.22  -0.14
    19   1    -0.06  -0.06   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.09  -0.27  -0.19     0.09   0.30   0.22
    21   1    -0.06  -0.24   0.00    -0.03   0.07  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.01   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.18   0.02  -0.02
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.09    -0.03  -0.00  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    944.2818               947.7758               960.2831
 Red. masses --      1.7395                 2.1469                 1.6752
 Frc consts  --      0.9138                 1.1363                 0.9102
 IR Inten    --      2.2311                 1.8846                 1.4287
 RamAct Fr= 1--      2.7130                 2.1020                 4.7443
  Dep-P Fr= 1--      0.5259                 0.7051                 0.7494
  Dep-U Fr= 1--      0.6893                 0.8270                 0.8568
 Alpha2 Fr= 1--      0.0118                 0.0016                 0.0000
 Beta2  Fr= 1--      0.3117                 0.2897                 0.6775
 AlphaG Fr= 1--     -0.0195                 0.0151                 0.0022
 Gamma2 Fr= 1--      0.4458                 0.8803                -0.8087
 Delta2 Fr= 1--      1.0244                 0.9825                -1.4747
 Raman1 Fr= 1--      10.852                  8.408                 18.977
 ROA1   Fr= 1--      75.582                115.953               -124.831
 CID1   Fr= 1--       6.965                 13.791                 -6.578
 Raman2 Fr= 1--       3.740                  3.477                  8.130
 ROA2   Fr= 1--       2.505                 13.268                 -7.612
 CID2   Fr= 1--       0.670                  3.816                 -0.936
 Raman3 Fr= 1--       7.480                  6.953                 16.259
 ROA3   Fr= 1--      75.582                115.953               -124.831
 CID3   Fr= 1--      10.104                 16.676                 -7.678
 RC180  Fr= 1--       0.379                  0.654                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.07  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.01   0.15   0.00     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.00     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.08     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.03   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.02  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.22  -0.18     0.08   0.18  -0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.01
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.15  -0.16  -0.03    -0.15  -0.05   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.03   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.21     0.21  -0.07  -0.14
    19   1     0.05  -0.02  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.06
    22   1     0.02   0.06   0.05    -0.33   0.17   0.13     0.56  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.04   0.13  -0.04    -0.27  -0.06   0.25
    25   1    -0.03   0.09  -0.16    -0.00   0.18  -0.18    -0.04   0.02  -0.04
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.07  -0.12   0.21
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.09  -0.07   0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.2582              1002.9684              1032.5153
 Red. masses --      1.6050                 1.7337                 1.4950
 Frc consts  --      0.8829                 1.0276                 0.9390
 IR Inten    --      2.4686                 0.0792                 0.7856
 RamAct Fr= 1--      4.6208                 2.3575                 2.4314
  Dep-P Fr= 1--      0.7458                 0.6717                 0.7357
  Dep-U Fr= 1--      0.8544                 0.8036                 0.8477
 Alpha2 Fr= 1--      0.0003                 0.0033                 0.0006
 Beta2  Fr= 1--      0.6580                 0.3158                 0.3435
 AlphaG Fr= 1--     -0.0010                 0.0151                -0.0024
 Gamma2 Fr= 1--      0.0906                 0.3446                -0.3309
 Delta2 Fr= 1--     -1.4892                 0.2307                -0.5336
 Raman1 Fr= 1--      18.483                  9.430                  9.725
 ROA1   Fr= 1--     -38.955                 40.464                -48.848
 CID1   Fr= 1--      -2.108                  4.291                 -5.023
 Raman2 Fr= 1--       7.896                  3.789                  4.122
 ROA2   Fr= 1--      14.088                  6.425                 -3.674
 CID2   Fr= 1--       1.784                  1.696                 -0.891
 Raman3 Fr= 1--      15.792                  7.578                  8.245
 ROA3   Fr= 1--     -38.955                 40.464                -48.848
 CID3   Fr= 1--      -2.467                  5.340                 -5.925
 RC180  Fr= 1--       0.709                  0.607                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.03     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.05   0.03    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.04  -0.02     0.02   0.03   0.12    -0.00  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.11    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.05   0.02
     7   6    -0.00  -0.02   0.04    -0.08   0.00   0.03     0.03   0.04  -0.03
     8   6     0.02  -0.02   0.03    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.08   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.09   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.01  -0.03  -0.06     0.13   0.11   0.26    -0.08  -0.07  -0.18
    15   1    -0.02  -0.06  -0.02     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.14   0.04   0.03    -0.07   0.01   0.04     0.07  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.19   0.16   0.11
    18   1     0.16  -0.07  -0.10     0.23   0.02  -0.26    -0.19  -0.08   0.27
    19   1     0.01   0.15   0.02     0.00  -0.06  -0.02    -0.05   0.00   0.09
    20   1    -0.06  -0.11  -0.07     0.04   0.04   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.05  -0.21  -0.02
    22   1    -0.02   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.15     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.13   0.03  -0.10    -0.25   0.15   0.13    -0.28   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.05  -0.09  -0.14
    26   1     0.18   0.00  -0.24    -0.03  -0.29   0.27    -0.03  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1039.7231              1057.4110              1102.1967
 Red. masses --      1.9694                 2.1714                 1.3159
 Frc consts  --      1.2544                 1.4305                 0.9419
 IR Inten    --     22.3124                20.8080                 1.8891
 RamAct Fr= 1--      2.6972                 1.3618                 1.7788
  Dep-P Fr= 1--      0.6985                 0.6095                 0.6977
  Dep-U Fr= 1--      0.8225                 0.7574                 0.8219
 Alpha2 Fr= 1--      0.0024                 0.0035                 0.0016
 Beta2  Fr= 1--      0.3697                 0.1719                 0.2437
 AlphaG Fr= 1--      0.0077                -0.0160                -0.0128
 Gamma2 Fr= 1--      0.0463                -0.6443                -1.1609
 Delta2 Fr= 1--      0.3900                 0.2819                -0.6058
 Raman1 Fr= 1--      10.789                  5.447                  7.115
 ROA1   Fr= 1--      16.921                -52.831               -130.827
 CID1   Fr= 1--       1.568                 -9.698                -18.387
 Raman2 Fr= 1--       4.437                  2.063                  2.924
 ROA2   Fr= 1--      -2.010                -17.719                -23.015
 CID2   Fr= 1--      -0.453                 -8.589                 -7.871
 Raman3 Fr= 1--       8.874                  4.126                  5.848
 ROA3   Fr= 1--      16.921                -52.831               -130.827
 CID3   Fr= 1--       1.907                -12.805                -22.370
 RC180  Fr= 1--       0.645                  0.515                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.03     0.02   0.01  -0.03
     2   6     0.01   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.03   0.02    -0.08  -0.03  -0.02    -0.05   0.03   0.02
     5   6    -0.01   0.01  -0.05     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.05    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6    -0.00  -0.12   0.00    -0.02  -0.05  -0.12    -0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.03    -0.05  -0.03  -0.01     0.03   0.00  -0.05
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.14   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.14    -0.09  -0.22   0.20     0.03   0.14   0.04
    14   1    -0.06  -0.08   0.24     0.11   0.08  -0.11     0.03   0.06  -0.18
    15   1    -0.00   0.16  -0.06    -0.10  -0.29  -0.23     0.10   0.00   0.42
    16   1     0.04   0.18   0.06     0.08  -0.16  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.11  -0.18    -0.10  -0.05   0.08     0.20   0.13   0.07
    18   1    -0.38   0.37   0.04    -0.12  -0.02   0.30     0.20   0.10  -0.25
    19   1    -0.04   0.21   0.12     0.02  -0.22  -0.12    -0.06  -0.06   0.08
    20   1    -0.16  -0.02  -0.02     0.09  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.38  -0.18     0.07   0.11   0.06    -0.04  -0.25  -0.01
    22   1     0.03   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.14  -0.00  -0.01     0.01   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.15   0.09   0.07    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.01   0.08     0.01  -0.10   0.10     0.02  -0.03   0.09
    26   1     0.02   0.07  -0.08     0.03  -0.03  -0.02     0.02   0.04  -0.06
    27   1     0.04  -0.02   0.06     0.02   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1120.4900              1150.6750              1173.3680
 Red. masses --      1.4432                 2.0119                 2.4792
 Frc consts  --      1.0676                 1.5695                 2.0111
 IR Inten    --      3.7993                 1.0148                 0.5374
 RamAct Fr= 1--      5.6626                 1.0100                 3.5514
  Dep-P Fr= 1--      0.7430                 0.6858                 0.7493
  Dep-U Fr= 1--      0.8526                 0.8136                 0.8567
 Alpha2 Fr= 1--      0.0007                 0.0011                 0.0000
 Beta2  Fr= 1--      0.8046                 0.1370                 0.5071
 AlphaG Fr= 1--     -0.0019                 0.0135                 0.0059
 Gamma2 Fr= 1--      1.1679                -0.4992                 1.7279
 Delta2 Fr= 1--      0.1371                -0.8189                 0.4156
 Raman1 Fr= 1--      22.650                  4.040                 14.206
 ROA1   Fr= 1--     116.501                -74.126                179.174
 CID1   Fr= 1--       5.143                -18.349                 12.613
 Raman2 Fr= 1--       9.656                  1.644                  6.085
 ROA2   Fr= 1--      26.932                 -5.429                 38.144
 CID2   Fr= 1--       2.789                 -3.303                  6.269
 Raman3 Fr= 1--      19.311                  3.287                 12.170
 ROA3   Fr= 1--     116.501                -74.126                179.174
 CID3   Fr= 1--       6.033                -22.551                 14.723
 RC180  Fr= 1--       0.705                  0.627                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.16
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.11  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.02
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.04  -0.10    -0.15  -0.09  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.20   0.26   0.19
    15   1     0.01   0.09  -0.05    -0.00  -0.03   0.05    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.18   0.10   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.18   0.05    -0.44  -0.35  -0.14    -0.07   0.05   0.10
    18   1    -0.16   0.35  -0.16     0.16  -0.12  -0.01    -0.03   0.17  -0.16
    19   1    -0.02  -0.35  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.32   0.18    -0.20  -0.17  -0.12
    21   1     0.11   0.07   0.16    -0.02  -0.33   0.04    -0.13  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.17  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.20  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1191.9830              1218.6914              1228.3190
 Red. masses --      1.6685                 1.9588                 1.7583
 Frc consts  --      1.3967                 1.7141                 1.5630
 IR Inten    --      3.3791                 1.0053                 3.2303
 RamAct Fr= 1--      2.1395                 2.2789                 2.5647
  Dep-P Fr= 1--      0.7404                 0.6781                 0.6289
  Dep-U Fr= 1--      0.8508                 0.8082                 0.7722
 Alpha2 Fr= 1--      0.0003                 0.0029                 0.0057
 Beta2  Fr= 1--      0.3034                 0.3070                 0.3301
 AlphaG Fr= 1--     -0.0008                 0.0089                -0.0217
 Gamma2 Fr= 1--      1.3082                -1.2488                -0.6187
 Delta2 Fr= 1--      0.7030                -0.9735                -0.8986
 Raman1 Fr= 1--       8.558                  9.115                 10.259
 ROA1   Fr= 1--     148.081               -151.037                -88.147
 CID1   Fr= 1--      17.303                -16.569                 -8.592
 Raman2 Fr= 1--       3.641                  3.683                  3.961
 ROA2   Fr= 1--      25.772                -22.184                 -7.659
 CID2   Fr= 1--       7.079                 -6.023                 -1.934
 Raman3 Fr= 1--       7.282                  7.367                  7.921
 ROA3   Fr= 1--     148.081               -151.037                -88.147
 CID3   Fr= 1--      20.336                -20.502                -11.128
 RC180  Fr= 1--       0.702                  0.616                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.06  -0.03  -0.04     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.04    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.01  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04    -0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.00     0.04  -0.07  -0.03
    12   1     0.12   0.37  -0.10     0.03  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.17  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.03    -0.06  -0.10   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.27     0.00   0.07  -0.04
    16   1    -0.36  -0.16  -0.04    -0.23  -0.22  -0.11    -0.18  -0.09  -0.03
    17   1     0.25   0.14   0.03    -0.09  -0.10  -0.03     0.26   0.11  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.02  -0.29     0.18  -0.41   0.07
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.08   0.09   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.03   0.00  -0.04    -0.02   0.11  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.05  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.14  -0.11  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.04  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.10   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.28
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.4819              1268.2079              1275.5231
 Red. masses --      1.7892                 1.9539                 1.5113
 Frc consts  --      1.6431                 1.8516                 1.4487
 IR Inten    --      1.7872                 0.0451                 3.0669
 RamAct Fr= 1--      4.7005                 1.1752                 5.3911
  Dep-P Fr= 1--      0.6175                 0.6698                 0.7303
  Dep-U Fr= 1--      0.7635                 0.8022                 0.8441
 Alpha2 Fr= 1--      0.0114                 0.0017                 0.0018
 Beta2  Fr= 1--      0.5981                 0.1571                 0.7584
 AlphaG Fr= 1--      0.0200                -0.0009                 0.0012
 Gamma2 Fr= 1--      0.2203                 0.1645                 2.5815
 Delta2 Fr= 1--     -0.7029                 0.3196                 1.3691
 Raman1 Fr= 1--      18.802                  4.701                 21.565
 ROA1   Fr= 1--      -1.345                 26.019                291.631
 CID1   Fr= 1--      -0.072                  5.535                 13.524
 Raman2 Fr= 1--       7.178                  1.886                  9.101
 ROA2   Fr= 1--      10.910                  1.392                 51.003
 CID2   Fr= 1--       1.520                  0.738                  5.604
 Raman3 Fr= 1--      14.356                  3.771                 18.203
 ROA3   Fr= 1--      -1.345                 26.019                291.631
 CID3   Fr= 1--      -0.094                  6.899                 16.021
 RC180  Fr= 1--       0.527                  0.604                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.10  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.05  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.02    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.09    -0.03   0.02   0.03
     5   6     0.02  -0.03  -0.02     0.09   0.05  -0.05    -0.04   0.05  -0.05
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.01    -0.15  -0.09  -0.02     0.03  -0.02  -0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.01   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.19   0.41   0.03    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.09   0.21  -0.20    -0.09  -0.16   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.43     0.11   0.14   0.24
    15   1     0.11   0.14   0.27    -0.04  -0.05  -0.05    -0.12  -0.18  -0.33
    16   1    -0.01  -0.02  -0.01     0.30   0.27   0.09    -0.22  -0.10  -0.04
    17   1    -0.12  -0.06   0.00     0.52   0.34   0.12     0.10   0.02  -0.02
    18   1     0.06  -0.05  -0.05     0.06   0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.04  -0.00    -0.01  -0.04   0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.02   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.03     0.08  -0.10  -0.07     0.11  -0.04  -0.03
    23   1     0.02  -0.01   0.18    -0.07   0.01   0.03     0.03  -0.00   0.04
    24   1    -0.17  -0.05   0.14     0.09  -0.10  -0.02    -0.00  -0.05   0.01
    25   1     0.02   0.04   0.06    -0.02   0.04  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.04    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07   0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.5950              1328.2324              1335.7280
 Red. masses --      2.1532                 1.7044                 1.4893
 Frc consts  --      2.1526                 1.7717                 1.5655
 IR Inten    --      8.4663                 1.9652                 1.1022
 RamAct Fr= 1--      2.3322                 3.7194                 2.0758
  Dep-P Fr= 1--      0.7296                 0.6263                 0.7267
  Dep-U Fr= 1--      0.8437                 0.7702                 0.8417
 Alpha2 Fr= 1--      0.0008                 0.0084                 0.0008
 Beta2  Fr= 1--      0.3279                 0.4775                 0.2912
 AlphaG Fr= 1--      0.0126                 0.0036                 0.0087
 Gamma2 Fr= 1--      0.9545                 1.2937                -0.9196
 Delta2 Fr= 1--      1.2154                 0.7895                -0.6007
 Raman1 Fr= 1--       9.329                 14.878                  8.303
 ROA1   Fr= 1--     130.524                149.463               -107.500
 CID1   Fr= 1--      13.992                 10.046                -12.947
 Raman2 Fr= 1--       3.935                  5.730                  3.494
 ROA2   Fr= 1--      13.185                 24.734                -17.263
 CID2   Fr= 1--       3.350                  4.317                 -4.940
 Raman3 Fr= 1--       7.870                 11.459                  6.989
 ROA3   Fr= 1--     130.524                149.463               -107.500
 CID3   Fr= 1--      16.584                 13.043                -15.382
 RC180  Fr= 1--       0.687                  0.540                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.08   0.13   0.06    -0.05   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.05
     6   6     0.02  -0.05  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.05    -0.04  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.07     0.03   0.08   0.01
    13   1    -0.14  -0.29   0.12     0.04   0.06   0.00     0.01   0.02   0.02
    14   1    -0.07  -0.10  -0.12     0.08   0.07   0.28     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.41    -0.03   0.06  -0.16     0.15   0.13   0.57
    16   1    -0.38  -0.22  -0.05     0.27   0.16   0.01    -0.05   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.24   0.12   0.05     0.12   0.10   0.07
    18   1    -0.10  -0.35   0.24     0.59  -0.21  -0.40    -0.14  -0.29   0.45
    19   1    -0.02  -0.04   0.05    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.06    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.04  -0.04  -0.05    -0.02   0.00  -0.04
    22   1     0.05  -0.02  -0.02     0.00   0.01   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.05  -0.04   0.05     0.02  -0.06   0.01
    25   1     0.01  -0.06   0.10     0.01  -0.09   0.09    -0.00  -0.02   0.00
    26   1     0.08  -0.00  -0.12     0.06  -0.07  -0.05     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1459              1409.5625              1416.5965
 Red. masses --      2.3458                 1.2380                 1.2818
 Frc consts  --      2.5194                 1.4493                 1.5155
 IR Inten    --      5.1502                 6.8337                 6.7660
 RamAct Fr= 1--      3.9639                 0.2292                 0.6563
  Dep-P Fr= 1--      0.5393                 0.6266                 0.2665
  Dep-U Fr= 1--      0.7007                 0.7704                 0.4208
 Alpha2 Fr= 1--      0.0161                 0.0005                 0.0074
 Beta2  Fr= 1--      0.4629                 0.0294                 0.0460
 AlphaG Fr= 1--     -0.0023                -0.0032                -0.0026
 Gamma2 Fr= 1--      0.7862                -0.1024                -0.1088
 Delta2 Fr= 1--     -0.2684                -0.0073                -0.0511
 Raman1 Fr= 1--      15.856                  0.917                  2.625
 ROA1   Fr= 1--      66.885                -10.059                -12.076
 CID1   Fr= 1--       4.218                -10.971                 -4.600
 Raman2 Fr= 1--       5.555                  0.353                  0.552
 ROA2   Fr= 1--      21.015                 -2.398                 -2.201
 CID2   Fr= 1--       3.783                 -6.791                 -3.985
 Raman3 Fr= 1--      11.110                  0.706                  1.105
 ROA3   Fr= 1--      66.885                -10.059                -12.076
 CID3   Fr= 1--       6.020                -14.241                -10.931
 RC180  Fr= 1--       0.401                  0.541                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.01
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.05    -0.02   0.01   0.04    -0.00  -0.01  -0.00
    14   1    -0.01   0.01  -0.02    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.04   0.03   0.05     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.06  -0.02  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.11     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.15   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.07   0.34   0.36
    21   1    -0.02  -0.18   0.02     0.02   0.01   0.02     0.31   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.07  -0.03  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.11     0.10   0.02   0.01
    24   1     0.03   0.02   0.00     0.30  -0.18  -0.29     0.07  -0.08  -0.06
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.07   0.09
    26   1     0.00  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.15   0.08
    27   1    -0.08   0.01  -0.08     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1430.9992              1462.3304              1485.5140
 Red. masses --      1.2098                 1.0861                 1.0531
 Frc consts  --      1.4596                 1.3684                 1.3692
 IR Inten    --     11.1322                12.1873                 3.9119
 RamAct Fr= 1--      1.3073                 9.6512                 3.2025
  Dep-P Fr= 1--      0.1137                 0.6327                 0.7485
  Dep-U Fr= 1--      0.2042                 0.7750                 0.8561
 Alpha2 Fr= 1--      0.0221                 0.0206                 0.0001
 Beta2  Fr= 1--      0.0445                 1.2466                 0.4570
 AlphaG Fr= 1--     -0.0253                 0.0244                 0.0011
 Gamma2 Fr= 1--      0.0826                 1.1240                 0.7735
 Delta2 Fr= 1--      0.1058                 0.9023                 0.0864
 Raman1 Fr= 1--       5.229                 38.605                 12.810
 ROA1   Fr= 1--      11.319                136.780                 77.019
 CID1   Fr= 1--       2.165                  3.543                  6.012
 Raman2 Fr= 1--       0.534                 14.960                  5.484
 ROA2   Fr= 1--       1.137                 19.757                 17.872
 CID2   Fr= 1--       2.129                  1.321                  3.259
 Raman3 Fr= 1--       1.068                 29.919                 10.967
 ROA3   Fr= 1--      11.319                136.780                 77.019
 CID3   Fr= 1--      10.600                  4.572                  7.023
 RC180  Fr= 1--      -0.592                  0.550                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.02   0.00    -0.01  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00   0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.00  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.01   0.01   0.01     0.20  -0.03   0.18
    13   1    -0.01   0.04   0.03    -0.00   0.01   0.01    -0.12   0.09   0.25
    14   1    -0.03  -0.01  -0.01    -0.11  -0.06   0.02     0.10   0.06  -0.05
    15   1     0.01  -0.02   0.01     0.03  -0.12  -0.01    -0.03   0.12  -0.02
    16   1     0.07  -0.09  -0.00    -0.36   0.54   0.03    -0.03   0.03   0.00
    17   1     0.01  -0.01  -0.12    -0.18   0.02   0.63    -0.01   0.00   0.04
    18   1    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.15  -0.04     0.01  -0.01  -0.02     0.15   0.01  -0.22
    20   1     0.02  -0.12  -0.12     0.02  -0.00  -0.00     0.04   0.13   0.14
    21   1    -0.09  -0.17  -0.01    -0.02  -0.03  -0.01    -0.14   0.04  -0.21
    22   1     0.30  -0.12   0.00     0.01  -0.06  -0.03     0.29   0.19   0.16
    23   1     0.34   0.07  -0.06     0.01   0.02  -0.08    -0.26  -0.05  -0.01
    24   1     0.24  -0.16  -0.23    -0.01   0.01   0.01     0.06   0.37  -0.25
    25   1     0.13  -0.23   0.26     0.06   0.11   0.11    -0.12  -0.09  -0.22
    26   1    -0.09  -0.34   0.22    -0.06  -0.13   0.11     0.23  -0.16  -0.15
    27   1     0.01  -0.05   0.42     0.16   0.02   0.04     0.07  -0.00   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1489.5300              1493.7232              1498.9674
 Red. masses --      1.0481                 1.0511                 1.0556
 Frc consts  --      1.3700                 1.3817                 1.3975
 IR Inten    --      6.7730                 5.9657                 4.0733
 RamAct Fr= 1--     11.0706                 4.9497                 1.8943
  Dep-P Fr= 1--      0.7362                 0.6728                 0.7495
  Dep-U Fr= 1--      0.8480                 0.8044                 0.8568
 Alpha2 Fr= 1--      0.0026                 0.0068                 0.0000
 Beta2  Fr= 1--      1.5647                 0.6636                 0.2705
 AlphaG Fr= 1--      0.0062                 0.0046                 0.0005
 Gamma2 Fr= 1--     -2.8341                 1.3490                -2.3338
 Delta2 Fr= 1--     -1.1220                 0.4698                -0.9255
 Raman1 Fr= 1--      44.282                 19.799                  7.577
 ROA1   Fr= 1--    -307.979                144.539               -253.664
 CID1   Fr= 1--      -6.955                  7.300                -33.477
 Raman2 Fr= 1--      18.777                  7.963                  3.246
 ROA2   Fr= 1--     -59.043                 28.619                -48.609
 CID2   Fr= 1--      -3.144                  3.594                -14.974
 Raman3 Fr= 1--      37.554                 15.926                  6.493
 ROA3   Fr= 1--    -307.979                144.539               -253.664
 CID3   Fr= 1--      -8.201                  9.076                -39.070
 RC180  Fr= 1--       0.696                  0.609                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.01
     2   6    -0.00   0.00  -0.02    -0.02   0.00  -0.01    -0.02   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.03
     4   6    -0.00  -0.01   0.00     0.01   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.04   0.02  -0.01    -0.03  -0.00   0.01
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.03     0.01   0.00   0.02    -0.00   0.01  -0.02
    11   6     0.01   0.02   0.01    -0.02   0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.05    -0.06   0.02  -0.06     0.20  -0.02   0.17
    13   1    -0.03   0.01   0.06     0.02  -0.05  -0.06    -0.11   0.06   0.24
    14   1     0.10   0.05  -0.05    -0.10  -0.05   0.05     0.23   0.12  -0.10
    15   1    -0.03   0.11  -0.01     0.03  -0.10   0.02    -0.08   0.26  -0.04
    16   1    -0.08   0.12   0.01     0.04  -0.06  -0.00    -0.01   0.02   0.00
    17   1    -0.04   0.01   0.13     0.03   0.00  -0.06    -0.01  -0.00   0.03
    18   1    -0.01  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.04   0.33     0.01   0.33  -0.06     0.16   0.23  -0.26
    20   1     0.01  -0.23  -0.23     0.51  -0.17  -0.07     0.39   0.00   0.08
    21   1     0.24  -0.11   0.38     0.06  -0.36   0.31    -0.11  -0.22   0.00
    22   1     0.01   0.31   0.16     0.02  -0.17  -0.08    -0.16   0.10   0.01
    23   1    -0.02  -0.06   0.33    -0.06   0.03  -0.23     0.14  -0.02   0.25
    24   1     0.11  -0.04  -0.13    -0.09   0.11   0.06     0.05  -0.25   0.05
    25   1    -0.06  -0.27  -0.11    -0.10   0.08  -0.18     0.10   0.11   0.18
    26   1     0.11   0.04  -0.11     0.19  -0.18  -0.11    -0.19   0.14   0.13
    27   1    -0.21  -0.05   0.11     0.21   0.03   0.10    -0.03   0.01  -0.17
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1504.1911              1513.6522              1518.6476
 Red. masses --      1.0554                 1.0668                 1.0677
 Frc consts  --      1.4069                 1.4401                 1.4508
 IR Inten    --      3.8045                 0.4354                 6.1576
 RamAct Fr= 1--      2.7164                 4.8593                 2.5799
  Dep-P Fr= 1--      0.7216                 0.6615                 0.6365
  Dep-U Fr= 1--      0.8383                 0.7963                 0.7779
 Alpha2 Fr= 1--      0.0013                 0.0077                 0.0053
 Beta2  Fr= 1--      0.3795                 0.6449                 0.3345
 AlphaG Fr= 1--      0.0115                -0.0091                 0.0121
 Gamma2 Fr= 1--     -0.6505                 2.0201                 1.1662
 Delta2 Fr= 1--     -0.3223                 0.8285                 0.4824
 Raman1 Fr= 1--      10.866                 19.437                 10.320
 ROA1   Fr= 1--     -72.763                220.444                127.387
 CID1   Fr= 1--      -6.697                 11.341                 12.344
 Raman2 Fr= 1--       4.554                  7.739                  4.014
 ROA2   Fr= 1--     -13.035                 41.854                 24.129
 CID2   Fr= 1--      -2.862                  5.408                  6.012
 Raman3 Fr= 1--       9.109                 15.477                  8.027
 ROA3   Fr= 1--     -72.763                220.444                127.387
 CID3   Fr= 1--      -7.988                 14.243                 15.869
 RC180  Fr= 1--       0.677                  0.593                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.01    -0.03   0.02  -0.01     0.01   0.03   0.01
     2   6     0.01  -0.00  -0.02     0.01   0.00   0.00     0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.01    -0.01  -0.00  -0.05
     4   6    -0.01  -0.01  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.01   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.20  -0.06   0.20    -0.02   0.00  -0.01     0.31  -0.08   0.29
    13   1    -0.11   0.09   0.25     0.02   0.00  -0.03    -0.18   0.12   0.38
    14   1     0.13   0.07  -0.05     0.21   0.11  -0.10    -0.09  -0.04   0.04
    15   1    -0.04   0.16  -0.02    -0.07   0.24  -0.05     0.03  -0.10   0.01
    16   1     0.05  -0.07  -0.01    -0.00  -0.03  -0.00    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.08    -0.00  -0.01  -0.01    -0.01  -0.00   0.02
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.19  -0.05   0.28    -0.04  -0.13   0.07    -0.03  -0.03   0.05
    20   1    -0.14  -0.12  -0.15    -0.17   0.00  -0.03    -0.08   0.01  -0.01
    21   1     0.18   0.04   0.21     0.01   0.09  -0.04     0.03   0.06  -0.00
    22   1     0.15  -0.12  -0.03    -0.22   0.01  -0.05    -0.22  -0.30  -0.20
    23   1    -0.17   0.01  -0.25     0.19   0.00   0.16     0.14   0.06  -0.21
    24   1    -0.06   0.25  -0.04     0.02  -0.29   0.12    -0.15  -0.17   0.27
    25   1     0.11   0.32   0.20    -0.12   0.27  -0.23    -0.08  -0.27  -0.14
    26   1    -0.19  -0.02   0.18     0.24  -0.37  -0.08     0.14   0.04  -0.15
    27   1     0.24   0.07  -0.16     0.47   0.07   0.16    -0.20  -0.06   0.14
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1527.4122              1817.0273              3033.6406
 Red. masses --      1.0784                12.5045                 1.0390
 Frc consts  --      1.4823                24.3243                 5.6335
 IR Inten    --      6.1613               250.4366                12.7168
 RamAct Fr= 1--      6.0164                18.3922                 6.3480
  Dep-P Fr= 1--      0.5035                 0.5049                 0.7197
  Dep-U Fr= 1--      0.6698                 0.6711                 0.8370
 Alpha2 Fr= 1--      0.0292                 0.0887                 0.0033
 Beta2  Fr= 1--      0.6716                 2.0570                 0.8856
 AlphaG Fr= 1--      0.0078                 0.1081                -0.0197
 Gamma2 Fr= 1--     -1.4011                 0.8985                 1.2669
 Delta2 Fr= 1--     -0.5337                 0.9198                 0.3953
 Raman1 Fr= 1--      24.066                 73.569                 25.392
 ROA1   Fr= 1--    -151.590                115.695                134.275
 CID1   Fr= 1--      -6.299                  1.573                  5.288
 Raman2 Fr= 1--       8.060                 24.684                 10.627
 ROA2   Fr= 1--     -29.358                 14.207                 27.244
 CID2   Fr= 1--      -3.643                  0.576                  2.564
 Raman3 Fr= 1--      16.119                 49.368                 21.254
 ROA3   Fr= 1--    -151.590                115.695                134.275
 CID3   Fr= 1--      -9.404                  2.344                  6.318
 RC180  Fr= 1--       0.340                  0.342                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.01   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.04  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.00   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.02  -0.04    -0.01   0.00  -0.01
    14   1     0.41   0.21  -0.20     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.15   0.48  -0.08    -0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.07   0.09   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.11     0.08   0.06   0.04     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.04  -0.02  -0.01     0.00   0.00   0.00
    19   1     0.01   0.01  -0.02     0.05  -0.01  -0.03    -0.01  -0.00  -0.01
    20   1     0.01   0.01   0.01     0.04  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.01  -0.00  -0.01    -0.06  -0.10  -0.03     0.02  -0.01  -0.02
    22   1     0.08  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.33     0.00   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.06     0.01  -0.00  -0.01    -0.36  -0.16  -0.33
    25   1    -0.01  -0.22  -0.02     0.01   0.03   0.00    -0.27   0.02   0.12
    26   1     0.02   0.09  -0.06    -0.02  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.22  -0.05   0.06     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3037.2951              3040.4579              3056.8487
 Red. masses --      1.0368                 1.0381                 1.0593
 Frc consts  --      5.6353                 5.6540                 5.8321
 IR Inten    --     20.1726                40.3743                25.9292
 RamAct Fr= 1--     10.4723               368.1641                66.7894
  Dep-P Fr= 1--      0.6081                 0.0130                 0.3346
  Dep-U Fr= 1--      0.7563                 0.0257                 0.5014
 Alpha2 Fr= 1--      0.0274                 7.9361                 0.6160
 Beta2  Fr= 1--      1.3201                 1.5768                 5.5811
 AlphaG Fr= 1--      0.0278                 0.3195                -0.4823
 Gamma2 Fr= 1--      2.7052                -0.0025                 3.3033
 Delta2 Fr= 1--      1.1541                -1.3171                -3.5163
 Raman1 Fr= 1--      41.889               1472.657                267.158
 ROA1   Fr= 1--     296.631                -42.390                204.596
 CID1   Fr= 1--       7.081                 -0.029                  0.766
 Raman2 Fr= 1--      15.841                 18.922                 66.973
 ROA2   Fr= 1--      55.693                 10.476                107.410
 CID2   Fr= 1--       3.516                  0.554                  1.604
 Raman3 Fr= 1--      31.681                 37.844                133.947
 ROA3   Fr= 1--     296.631                -42.390                204.596
 CID3   Fr= 1--       9.363                 -1.120                  1.527
 RC180  Fr= 1--       0.513                 -0.949                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.06
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.04   0.02     0.00   0.03   0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02    -0.01   0.01  -0.02    -0.00   0.00   0.00
    12   1    -0.02   0.01   0.02    -0.05   0.03   0.05    -0.39   0.22   0.42
    13   1     0.02  -0.01   0.01     0.05  -0.01   0.02     0.51  -0.16   0.25
    14   1    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.22   0.33  -0.03
    15   1     0.02   0.00  -0.01    -0.02  -0.00   0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.03     0.00   0.01  -0.04    -0.00  -0.00   0.01
    17   1    -0.01   0.01  -0.00     0.01  -0.02   0.01     0.01  -0.03   0.01
    18   1     0.01   0.01   0.01    -0.02  -0.01  -0.02    -0.03  -0.03  -0.03
    19   1    -0.33   0.00  -0.22    -0.28   0.00  -0.18     0.03   0.00   0.02
    20   1    -0.06  -0.27   0.32    -0.04  -0.22   0.26     0.01   0.03  -0.04
    21   1     0.39  -0.14  -0.28     0.32  -0.12  -0.23    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.13     0.02   0.09  -0.17    -0.00  -0.00   0.00
    23   1    -0.03   0.26   0.04     0.03  -0.30  -0.05    -0.00   0.02   0.00
    24   1    -0.22  -0.10  -0.20     0.30   0.13   0.27    -0.02  -0.01  -0.01
    25   1     0.18  -0.01  -0.08    -0.22   0.02   0.10     0.01  -0.00  -0.00
    26   1    -0.21  -0.11  -0.21     0.26   0.13   0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.26   0.05     0.05  -0.27  -0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.1629              3065.3348              3084.3553
 Red. masses --      1.0612                 1.0625                 1.1007
 Frc consts  --      5.8665                 5.8822                 6.1693
 IR Inten    --     14.2941                29.8651                 9.9683
 RamAct Fr= 1--     56.0652               238.4785                87.3183
  Dep-P Fr= 1--      0.2004                 0.0533                 0.2045
  Dep-U Fr= 1--      0.3339                 0.1013                 0.3395
 Alpha2 Fr= 1--      0.7605                 4.6735                 1.1719
 Beta2  Fr= 1--      3.1201                 4.0247                 4.9406
 AlphaG Fr= 1--      0.1154                -0.7364                -0.7257
 Gamma2 Fr= 1--     -3.5812                -5.3475               -16.1091
 Delta2 Fr= 1--     -3.6763                -0.5969               -11.6442
 Raman1 Fr= 1--     224.261                953.914                349.273
 ROA1   Fr= 1--    -461.437               -532.465              -1919.090
 CID1   Fr= 1--      -2.058                 -0.558                 -5.495
 Raman2 Fr= 1--      37.441                 48.296                 59.288
 ROA2   Fr= 1--     -56.538               -123.566               -293.466
 CID2   Fr= 1--      -1.510                 -2.559                 -4.950
 Raman3 Fr= 1--      74.883                 96.593                118.575
 ROA3   Fr= 1--    -461.437               -532.465              -1919.090
 CID3   Fr= 1--      -6.162                 -5.512                -16.185
 RC180  Fr= 1--      -0.332                 -0.797                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.01     0.00   0.01   0.03    -0.05   0.02   0.01
     4   6    -0.00   0.02  -0.00    -0.01  -0.05   0.02     0.05  -0.02  -0.01
     5   6     0.01   0.01   0.01     0.02   0.01   0.01    -0.03  -0.02  -0.03
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01     0.01  -0.01  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1    -0.08   0.04   0.08     0.24  -0.14  -0.26     0.27  -0.16  -0.32
    13   1     0.07  -0.02   0.03    -0.26   0.08  -0.12     0.37  -0.11   0.20
    14   1     0.11  -0.18   0.01    -0.34   0.51  -0.04    -0.21   0.34  -0.04
    15   1    -0.09  -0.01   0.03     0.46   0.08  -0.16    -0.34  -0.07   0.12
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.17    -0.01  -0.02   0.08
    17   1    -0.35   0.60  -0.17    -0.06   0.11  -0.03    -0.07   0.12  -0.03
    18   1    -0.09  -0.07  -0.09    -0.18  -0.14  -0.17     0.32   0.25   0.31
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.03   0.00  -0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03     0.00   0.01  -0.01
    23   1    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.00   0.02   0.00
    24   1    -0.00  -0.00  -0.00     0.05   0.02   0.04     0.03   0.01   0.02
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.00   0.01
    26   1     0.05   0.03   0.05     0.02   0.01   0.02    -0.03  -0.01  -0.03
    27   1     0.01  -0.04  -0.01    -0.00  -0.01  -0.00     0.02  -0.08  -0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.5337              3087.8871              3091.7323
 Red. masses --      1.1005                 1.0917                 1.0996
 Frc consts  --      6.1693                 6.1329                 6.1926
 IR Inten    --      2.0292                24.8164                53.5781
 RamAct Fr= 1--     16.6770               196.7743               107.9613
  Dep-P Fr= 1--      0.5470                 0.1045                 0.7472
  Dep-U Fr= 1--      0.7072                 0.1892                 0.8553
 Alpha2 Fr= 1--      0.0649                 3.4073                 0.0051
 Beta2  Fr= 1--      1.9655                 6.2065                15.3903
 AlphaG Fr= 1--     -0.0038                 1.4343                -0.0401
 Gamma2 Fr= 1--     -1.3190                30.8466                -2.0220
 Delta2 Fr= 1--     -3.0572                14.0566                 0.7486
 Raman1 Fr= 1--      66.708                787.097                431.845
 ROA1   Fr= 1--    -224.451               3411.089               -170.154
 CID1   Fr= 1--      -3.365                  4.334                 -0.394
 Raman2 Fr= 1--      23.586                 74.478                184.683
 ROA2   Fr= 1--      -7.197                627.866                -54.515
 CID2   Fr= 1--      -0.305                  8.430                 -0.295
 Raman3 Fr= 1--      47.173                148.955                369.367
 ROA3   Fr= 1--    -224.451               3411.089               -170.154
 CID3   Fr= 1--      -4.758                 22.900                 -0.461
 RC180  Fr= 1--       0.414                 -0.622                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.03  -0.01   0.01     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.04  -0.03  -0.04    -0.01  -0.00  -0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.02  -0.06  -0.04    -0.00   0.00  -0.00    -0.01  -0.04  -0.02
    11   6     0.01   0.04   0.02     0.00   0.01   0.00    -0.03  -0.06  -0.04
    12   1    -0.02   0.01   0.02    -0.16   0.09   0.19    -0.00   0.00   0.00
    13   1    -0.02   0.01  -0.01    -0.33   0.10  -0.17     0.01  -0.00   0.00
    14   1     0.02  -0.03   0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    15   1     0.00   0.00  -0.00     0.34   0.06  -0.12     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.01  -0.02   0.00    -0.10   0.17  -0.04     0.01  -0.01   0.00
    18   1    -0.04  -0.03  -0.04     0.48   0.37   0.47     0.07   0.06   0.07
    19   1     0.03  -0.00   0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1     0.01   0.07  -0.08     0.00   0.02  -0.02    -0.01  -0.05   0.05
    21   1     0.07  -0.03  -0.05     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1    -0.01  -0.05   0.05    -0.00   0.00  -0.00    -0.01  -0.03   0.04
    23   1    -0.08   0.64   0.09     0.01  -0.04  -0.01    -0.05   0.38   0.05
    24   1     0.39   0.15   0.34     0.01   0.00   0.01     0.23   0.09   0.20
    25   1    -0.02   0.01   0.02    -0.03   0.00   0.02     0.07  -0.02  -0.04
    26   1    -0.22  -0.10  -0.21    -0.03  -0.01  -0.03     0.37   0.17   0.36
    27   1     0.08  -0.36  -0.07     0.02  -0.07  -0.01    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.4690              3100.5104              3103.7955
 Red. masses --      1.1038                 1.1016                 1.1014
 Frc consts  --      6.2437                 6.2392                 6.2514
 IR Inten    --      2.0379                14.7789                 9.8439
 RamAct Fr= 1--     40.0444                69.1110                78.7605
  Dep-P Fr= 1--      0.7310                 0.6894                 0.7413
  Dep-U Fr= 1--      0.8446                 0.8161                 0.8514
 Alpha2 Fr= 1--      0.0130                 0.0735                 0.0117
 Beta2  Fr= 1--      5.6369                 9.4006                11.1765
 AlphaG Fr= 1--     -0.0685                -0.1197                -0.0864
 Gamma2 Fr= 1--    -15.9088               -19.1634                17.0847
 Delta2 Fr= 1--      1.8314                -6.0625                 9.7207
 Raman1 Fr= 1--     160.178                276.444                315.042
 ROA1   Fr= 1--   -1468.642              -2033.685               1951.190
 CID1   Fr= 1--      -9.169                 -7.357                  6.193
 Raman2 Fr= 1--      67.643                112.807                134.118
 ROA2   Fr= 1--    -396.462               -411.421                332.267
 CID2   Fr= 1--      -5.861                 -3.647                  2.477
 Raman3 Fr= 1--     135.286                225.614                268.235
 ROA3   Fr= 1--   -1468.642              -2033.685               1951.190
 CID3   Fr= 1--     -10.856                 -9.014                  7.274
 RC180  Fr= 1--       0.689                  0.632                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.01  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.01   0.02     0.00  -0.00   0.00
     8   6    -0.01  -0.00   0.02    -0.08  -0.01   0.04    -0.04   0.03  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.01
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.01     0.01   0.01   0.00
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.08   0.05   0.10
    13   1    -0.18   0.05  -0.09     0.01  -0.00   0.01    -0.11   0.03  -0.06
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.08   0.13  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.16  -0.03   0.06
    16   1    -0.06  -0.10   0.59     0.02   0.03  -0.18     0.00   0.00  -0.01
    17   1     0.26  -0.45   0.10    -0.08   0.14  -0.03    -0.01   0.02  -0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.03    -0.02  -0.01  -0.01
    19   1     0.02  -0.00   0.02     0.32   0.00   0.24     0.58   0.01   0.38
    20   1     0.02   0.11  -0.12     0.05   0.32  -0.36    -0.09  -0.41   0.47
    21   1     0.13  -0.05  -0.09     0.55  -0.22  -0.40    -0.00   0.00  -0.02
    22   1     0.01   0.04  -0.08     0.00   0.01  -0.02     0.01   0.03  -0.06
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01  -0.03    -0.04  -0.02  -0.04    -0.02  -0.01  -0.02
    25   1     0.28  -0.02  -0.13    -0.08   0.00   0.03    -0.06   0.01   0.03
    26   1     0.07   0.04   0.08     0.01   0.00   0.01    -0.06  -0.03  -0.06
    27   1     0.01  -0.11  -0.02    -0.02   0.11   0.02     0.02  -0.07  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.3045              3113.1033              3127.4724
 Red. masses --      1.1041                 1.0986                 1.0960
 Frc consts  --      6.2730                 6.2728                 6.3158
 IR Inten    --     70.7487                20.2371                26.3282
 RamAct Fr= 1--     79.4611                52.1821                54.5197
  Dep-P Fr= 1--      0.7409                 0.6695                 0.5713
  Dep-U Fr= 1--      0.8512                 0.8020                 0.7272
 Alpha2 Fr= 1--      0.0123                 0.0746                 0.1837
 Beta2  Fr= 1--     11.2726                 6.9751                 6.6075
 AlphaG Fr= 1--     -0.0339                -0.1646                -0.1308
 Gamma2 Fr= 1--    -13.8271                24.7824                -2.8226
 Delta2 Fr= 1--     -7.5772                 7.5627                 0.0984
 Raman1 Fr= 1--     317.845                208.728                218.079
 ROA1   Fr= 1--   -1569.873               2621.118               -267.822
 CID1   Fr= 1--      -4.939                 12.558                 -1.228
 Raman2 Fr= 1--     135.272                 83.701                 79.290
 ROA2   Fr= 1--    -271.233                534.276                -68.529
 CID2   Fr= 1--      -2.005                  6.383                 -0.864
 Raman3 Fr= 1--     270.543                167.402                158.581
 ROA3   Fr= 1--   -1569.873               2621.118               -267.822
 CID3   Fr= 1--      -5.803                 15.658                 -1.689
 RC180  Fr= 1--       0.702                  0.604                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04   0.02   0.01    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.00  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.03   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.21  -0.12  -0.24     0.00  -0.00  -0.01    -0.06   0.04   0.07
    13   1     0.32  -0.10   0.17     0.01  -0.00   0.00    -0.05   0.01  -0.02
    14   1     0.22  -0.36   0.04    -0.00   0.00  -0.00    -0.03   0.05  -0.01
    15   1     0.47   0.10  -0.17     0.00   0.00  -0.00    -0.14  -0.03   0.05
    16   1    -0.03  -0.04   0.24     0.03   0.06  -0.34    -0.00  -0.00   0.00
    17   1     0.12  -0.20   0.05    -0.09   0.16  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.01    -0.01  -0.00  -0.01
    19   1     0.24   0.01   0.16     0.02   0.00   0.02     0.01   0.00   0.01
    20   1    -0.02  -0.08   0.09    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.11  -0.04  -0.09     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    22   1    -0.02  -0.06   0.12     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.01  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.10  -0.01  -0.05     0.75  -0.05  -0.35     0.01  -0.00  -0.01
    26   1     0.01   0.01   0.01     0.15   0.09   0.17    -0.00   0.00   0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.28  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481721522.918951641.96827
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     632116.4 (Joules/Mol)
                                  151.07944 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.18   242.92   263.98   312.66   323.48
          (Kelvin)            347.99   377.51   417.28   432.82   553.53
                              568.47   598.46   685.53   755.38   806.66
                              829.03   891.38   938.85  1027.76  1087.79
                             1203.12  1241.97  1256.91  1333.29  1358.61
                             1363.64  1381.63  1390.23  1443.05  1485.56
                             1495.93  1521.38  1585.82  1612.14  1655.56
                             1688.21  1715.00  1753.43  1767.28  1796.29
                             1824.67  1835.19  1874.14  1911.03  1921.81
                             1942.56  2028.05  2038.17  2058.89  2103.97
                             2137.32  2143.10  2149.13  2156.68  2164.20
                             2177.81  2185.00  2197.61  2614.30  4364.73
                             4369.99  4374.54  4398.12  4407.21  4410.33
                             4437.70  4437.96  4442.78  4448.31  4458.01
                             4460.94  4465.67  4467.84  4479.06  4499.74
 
 Zero-point correction=                           0.240760 (Hartree/Particle)
 Thermal correction to Energy=                    0.251431
 Thermal correction to Enthalpy=                  0.252375
 Thermal correction to Gibbs Free Energy=         0.206095
 Sum of electronic and zero-point Energies=           -465.910956
 Sum of electronic and thermal Energies=              -465.900285
 Sum of electronic and thermal Enthalpies=            -465.899341
 Sum of electronic and thermal Free Energies=         -465.945621
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.775             43.574             97.405
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.998             37.612             26.916
 Vibration     1          0.606              1.943              3.307
 Vibration     2          0.625              1.881              2.448
 Vibration     3          0.631              1.862              2.293
 Vibration     4          0.646              1.815              1.981
 Vibration     5          0.649              1.803              1.920
 Vibration     6          0.658              1.776              1.789
 Vibration     7          0.670              1.742              1.646
 Vibration     8          0.686              1.692              1.474
 Vibration     9          0.693              1.672              1.412
 Vibration    10          0.754              1.503              1.021
 Vibration    11          0.762              1.481              0.981
 Vibration    12          0.779              1.436              0.906
 Vibration    13          0.833              1.302              0.720
 Vibration    14          0.880              1.195              0.598
 Vibration    15          0.916              1.116              0.523
 Vibration    16          0.933              1.083              0.492
 Vibration    17          0.980              0.991              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.159586D-94        -94.797004       -218.278169
 Total V=0       0.881043D+16         15.944997         36.714712
 Vib (Bot)       0.342966-108       -108.464749       -249.749315
 Vib (Bot)    1  0.189984D+01          0.278717          0.641769
 Vib (Bot)    2  0.119403D+01          0.077016          0.177336
 Vib (Bot)    3  0.109338D+01          0.038772          0.089276
 Vib (Bot)    4  0.911256D+00         -0.040360         -0.092932
 Vib (Bot)    5  0.877989D+00         -0.056511         -0.130121
 Vib (Bot)    6  0.810022D+00         -0.091503         -0.210693
 Vib (Bot)    7  0.739388D+00         -0.131128         -0.301933
 Vib (Bot)    8  0.659368D+00         -0.180872         -0.416473
 Vib (Bot)    9  0.631893D+00         -0.199357         -0.459036
 Vib (Bot)   10  0.468405D+00         -0.329379         -0.758423
 Vib (Bot)   11  0.452715D+00         -0.344175         -0.792492
 Vib (Bot)   12  0.423442D+00         -0.373207         -0.859340
 Vib (Bot)   13  0.352075D+00         -0.453365         -1.043912
 Vib (Bot)   14  0.306028D+00         -0.514239         -1.184079
 Vib (Bot)   15  0.277035D+00         -0.557466         -1.283612
 Vib (Bot)   16  0.265463D+00         -0.575996         -1.326279
 Vib (Bot)   17  0.236160D+00         -0.626794         -1.443248
 Vib (V=0)       0.189344D+03          2.277252          5.243566
 Vib (V=0)    1  0.246453D+01          0.391734          0.902002
 Vib (V=0)    2  0.179449D+01          0.253942          0.584722
 Vib (V=0)    3  0.170228D+01          0.231032          0.531971
 Vib (V=0)    4  0.153942D+01          0.187356          0.431404
 Vib (V=0)    5  0.151038D+01          0.179086          0.412360
 Vib (V=0)    6  0.145191D+01          0.161940          0.372881
 Vib (V=0)    7  0.139258D+01          0.143819          0.331156
 Vib (V=0)    8  0.132751D+01          0.123037          0.283302
 Vib (V=0)    9  0.130578D+01          0.115871          0.266804
 Vib (V=0)   10  0.118513D+01          0.073766          0.169852
 Vib (V=0)   11  0.117450D+01          0.069853          0.160843
 Vib (V=0)   12  0.115521D+01          0.062662          0.144284
 Vib (V=0)   13  0.111152D+01          0.045917          0.105728
 Vib (V=0)   14  0.108622D+01          0.035918          0.082703
 Vib (V=0)   15  0.107162D+01          0.030040          0.069171
 Vib (V=0)   16  0.106610D+01          0.027798          0.064008
 Vib (V=0)   17  0.105297D+01          0.022414          0.051611
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000053041   -0.000024740    0.000009116
      2        6           0.000038176    0.000017183   -0.000001880
      3        6          -0.000044485   -0.000008475    0.000029904
      4        6           0.000003597   -0.000017072   -0.000001263
      5        6           0.000019569   -0.000009345   -0.000013874
      6        6          -0.000009171   -0.000018880    0.000019534
      7        6          -0.000024798    0.000021183    0.000020197
      8        6          -0.000007845    0.000002301   -0.000004714
      9        8           0.000001964   -0.000000422    0.000001435
     10        6           0.000036290    0.000028404   -0.000012594
     11        6           0.000009774   -0.000012449   -0.000010072
     12        1          -0.000017893    0.000010456   -0.000002245
     13        1          -0.000000444    0.000000879    0.000001683
     14        1          -0.000002233   -0.000003836    0.000009747
     15        1           0.000015139   -0.000008782   -0.000005708
     16        1           0.000004858    0.000007463   -0.000007006
     17        1          -0.000000158    0.000002355   -0.000001628
     18        1           0.000002348    0.000003374    0.000001667
     19        1           0.000001018    0.000000757   -0.000001537
     20        1           0.000002679   -0.000002031    0.000006031
     21        1           0.000003668   -0.000001781    0.000002187
     22        1          -0.000003981    0.000030162   -0.000010172
     23        1           0.000012706   -0.000007611   -0.000008590
     24        1          -0.000006746    0.000000813    0.000002245
     25        1           0.000018156   -0.000015419   -0.000011765
     26        1           0.000000227    0.000001199   -0.000004221
     27        1           0.000000626    0.000004314   -0.000006479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053041 RMS     0.000014691
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119215D+03  0.956351D+00 -0.591270D-01
      2   0.956351D+00  0.114217D+03  0.117612D+01
      3  -0.591270D-01  0.117612D+01  0.110463D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.619525D-02 -0.438383D+01  0.217791D+01
      2   0.207017D+01 -0.393524D+01  0.211648D+02
      3   0.496931D+01 -0.175949D+02  0.436548D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.238023D+02 -0.128776D+02  0.112459D+02
      2  -0.159761D+02  0.588528D+01 -0.872299D+01
      3  -0.782614D+01  0.699234D+01 -0.252291D+01
      4  -0.174354D+02  0.329799D+02 -0.156301D+02
      5   0.754235D+01 -0.158109D+02  0.431496D+02
      6  -0.963769D+01 -0.143971D+02 -0.496564D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150542D+01  0.145130D+01  0.544992D+01  0.106592D+01  0.254407D+01
      2   0.145130D+01  0.256878D+01  0.251338D+00  0.254407D+01 -0.598285D+01
      3   0.544992D+01  0.251338D+00  0.280331D+01  0.120880D+00 -0.147548D+01
                 6             7             8             9            10 
      1   0.120880D+00  0.637825D+01  0.532584D+00  0.216785D+01 -0.406193D+01
      2  -0.147548D+01  0.532584D+00 -0.166335D+01  0.373581D+01 -0.213209D+01
      3   0.309234D+01  0.216785D+01  0.373581D+01 -0.103543D+01 -0.425066D+01
                11            12            13            14            15 
      1  -0.213209D+01 -0.425066D+01 -0.230160D+01  0.545251D+00  0.204468D+01
      2   0.806122D+00  0.201350D+01  0.545251D+00  0.398659D+00  0.285971D+01
      3   0.201350D+01 -0.821997D+00  0.204468D+01  0.285971D+01 -0.370152D+01
                16            17            18            19            20 
      1  -0.402485D+01  0.205630D+01 -0.212822D+01  0.220524D+01 -0.370597D+00
      2   0.205630D+01  0.249191D+01 -0.290560D+01 -0.370597D+00 -0.125186D+01
      3  -0.212822D+01 -0.290560D+01 -0.125237D+01  0.395277D+01 -0.266781D+01
                21            22            23            24            25 
      1   0.395277D+01  0.284881D+00 -0.348129D+00 -0.360511D+01  0.266118D+01
      2  -0.266781D+01 -0.348129D+00  0.521237D+00 -0.259980D+01 -0.236298D+01
      3  -0.602016D+00 -0.360511D+01 -0.259980D+01  0.228510D+01 -0.842478D-01
                26            27            28            29            30 
      1  -0.236298D+01 -0.842478D-01 -0.373986D+01 -0.228172D+01  0.226736D+01
      2  -0.309393D+01  0.166393D+01 -0.228172D+01  0.382813D+01  0.983325D+00
      3   0.166393D+01  0.199454D+01  0.226736D+01  0.983325D+00 -0.254811D+00
                31            32            33            34            35 
      1  -0.971690D+00  0.302210D+01  0.102830D+01  0.205357D+01  0.109506D+01
      2   0.302210D+01 -0.324979D+01  0.188781D+01  0.109506D+01  0.173035D+01
      3   0.102830D+01  0.188781D+01  0.179061D+01  0.224087D-01  0.168885D+01
                36            37            38            39            40 
      1   0.224087D-01  0.113858D+01 -0.975449D+00 -0.383040D+01 -0.855781D-02
      2   0.168885D+01 -0.975449D+00 -0.324109D+01 -0.154921D+01 -0.404308D+01
      3  -0.273693D+01 -0.383040D+01 -0.154921D+01 -0.164878D+01 -0.161998D+01
                41            42            43            44            45 
      1  -0.404308D+01 -0.161998D+01 -0.321850D+01 -0.151359D+01 -0.174407D+01
      2   0.484234D+01 -0.131464D+01 -0.151359D+01 -0.284973D+00 -0.336315D+01
      3  -0.131464D+01 -0.270569D+01 -0.174407D+01 -0.336315D+01  0.202827D+01
                46            47            48            49            50 
      1   0.720155D+01  0.305004D+01  0.180807D+00  0.256534D+01 -0.951600D+00
      2   0.305004D+01 -0.303730D+01 -0.274674D+01 -0.951600D+00 -0.716363D+00
      3   0.180807D+00 -0.274674D+01 -0.168613D+01 -0.149476D+01 -0.972204D+00
                51            52            53            54            55 
      1  -0.149476D+01  0.216822D+00 -0.122721D+01  0.181404D+00 -0.157133D+01
      2  -0.972204D+00 -0.122721D+01 -0.772947D+00  0.433774D+00 -0.888836D+00
      3  -0.533096D-01  0.181404D+00  0.433774D+00  0.142268D+01  0.146519D+01
                56            57            58            59            60 
      1  -0.888836D+00  0.146519D+01 -0.136797D+01  0.343087D+01  0.871038D+00
      2   0.462608D+01  0.126670D+01  0.343087D+01 -0.278657D+01  0.157943D+01
      3   0.126670D+01  0.136010D+01  0.871038D+00  0.157943D+01  0.214309D+01
                61            62            63            64            65 
      1   0.484860D+00 -0.422411D+00  0.915633D+00  0.147375D+01  0.199820D+01
      2  -0.422411D+00  0.192727D+01  0.870853D+00  0.199820D+01 -0.316762D+00
      3   0.915633D+00  0.870853D+00 -0.542502D+01  0.464199D+01 -0.122489D+01
                66            67            68            69            70 
      1   0.464199D+01  0.149135D+01 -0.620988D+00 -0.127085D+01  0.395836D+01
      2  -0.122489D+01 -0.620988D+00 -0.337875D+00 -0.293602D+01 -0.137072D+01
      3   0.951233D+00 -0.127085D+01 -0.293602D+01  0.243076D+01  0.900455D+00
                71            72            73            74            75 
      1  -0.137072D+01  0.900455D+00 -0.159107D+02 -0.308599D+01  0.990050D+00
      2  -0.297456D+01  0.297086D+01 -0.308599D+01 -0.107317D+01  0.943998D+00
      3   0.297086D+01  0.748934D+00  0.990050D+00  0.943998D+00 -0.886542D+00
                76            77            78            79            80 
      1  -0.315254D+01 -0.347364D+01  0.419821D+00  0.403105D+00  0.172933D+00
      2  -0.347364D+01 -0.215653D+01  0.554178D+00  0.172933D+00  0.123071D+00
      3   0.419821D+00  0.554178D+00 -0.333119D+00 -0.301049D+01 -0.879176D+00
                81            82            83            84            85 
      1  -0.301049D+01 -0.520500D+00 -0.174360D+01 -0.421801D+01 -0.212906D+01
      2  -0.879176D+00 -0.174360D+01 -0.141804D+01 -0.206463D+00 -0.209683D+01
      3   0.418632D-01 -0.421801D+01 -0.206463D+00 -0.187084D+01 -0.416162D+00
                86            87            88            89            90 
      1  -0.209683D+01 -0.416162D+00 -0.490169D+01 -0.393653D+00 -0.221931D+01
      2   0.549260D+01  0.174312D+01 -0.393653D+00  0.167978D+01 -0.267763D+01
      3   0.174312D+01 -0.270045D+01 -0.221931D+01 -0.267763D+01  0.219991D+01
                91            92            93            94            95 
      1   0.176453D+01 -0.601233D+00 -0.466154D+01 -0.803531D+00 -0.174040D+01
      2  -0.601233D+00 -0.160327D+01 -0.609087D+00 -0.174040D+01  0.541841D+01
      3  -0.466154D+01 -0.609087D+00 -0.206633D+01 -0.891644D+00  0.128397D+01
                96            97            98            99           100 
      1  -0.891644D+00 -0.438617D+01 -0.809355D+00 -0.179123D+01  0.221681D+01
      2   0.128397D+01 -0.809355D+00  0.196861D+01 -0.285335D+01 -0.341275D+00
      3  -0.334051D+01 -0.179123D+01 -0.285335D+01 -0.283030D+00 -0.232680D+01
               101           102           103           104           105 
      1  -0.341275D+00 -0.232680D+01 -0.808939D+00  0.698706D+00  0.116299D+01
      2   0.112450D+01  0.675597D+00  0.698706D+00 -0.111153D+01 -0.977523D+00
      3   0.675597D+00  0.303200D+01  0.116299D+01 -0.977523D+00 -0.234106D+01
               106           107           108           109           110 
      1  -0.175106D+01  0.498394D+00  0.205808D+01 -0.458427D+01  0.102337D+01
      2   0.498394D+00 -0.815152D+00 -0.107961D+01  0.102337D+01 -0.136541D+01
      3   0.205808D+01 -0.107961D+01 -0.640407D+01 -0.344998D+01  0.128544D+01
               111           112           113           114           115 
      1  -0.344998D+01  0.889151D+00 -0.103195D+01  0.869702D+00 -0.204387D+01
      2   0.128544D+01 -0.103195D+01  0.101998D+01 -0.933793D+00  0.777812D+00
      3  -0.353888D+01  0.869702D+00 -0.933793D+00  0.802292D+00 -0.219734D+01
               116           117           118           119           120 
      1   0.777812D+00 -0.219734D+01 -0.103117D+01  0.209723D+01 -0.629541D+00
      2  -0.538099D+00  0.734023D+00  0.209723D+01 -0.365634D+01  0.643720D+00
      3   0.734023D+00 -0.393456D+01 -0.629541D+00  0.643720D+00 -0.867302D+00
               121           122           123           124           125 
      1   0.138798D+01 -0.191207D+01  0.242307D+00 -0.347051D+00  0.775126D-01
      2  -0.191207D+01  0.902647D+01 -0.173246D+01  0.775126D-01 -0.966057D+00
      3   0.242307D+00 -0.173246D+01  0.122503D+01 -0.484339D+00  0.121042D+01
               126           127           128           129           130 
      1  -0.484339D+00  0.655723D+01  0.277449D+01 -0.214973D+01  0.155663D+01
      2   0.121042D+01  0.277449D+01  0.223228D+01 -0.116343D+01  0.148934D+01
      3  -0.375188D+00 -0.214973D+01 -0.116343D+01  0.189268D+01 -0.722988D+00
               131           132           133           134           135 
      1   0.148934D+01 -0.722988D+00 -0.182677D+01 -0.920533D+00  0.159949D+01
      2   0.208629D+01 -0.956658D+00 -0.920533D+00 -0.107705D+01  0.743713D+00
      3  -0.956658D+00  0.381643D+00  0.159949D+01  0.743713D+00 -0.133617D+01
               136           137           138           139           140 
      1  -0.252384D+00  0.162896D+00  0.131743D+01 -0.239871D+00 -0.519513D+00
      2   0.162896D+00 -0.665729D+00 -0.358886D+00 -0.519513D+00  0.344582D+00
      3   0.131743D+01 -0.358886D+00 -0.132379D+01  0.100290D+00  0.903473D+00
               141           142           143           144           145 
      1   0.100290D+00  0.156993D+01 -0.163779D+00 -0.146088D+01 -0.277864D+01
      2   0.903473D+00 -0.163779D+00  0.128125D+01  0.952990D+00  0.272455D+01
      3  -0.791123D+00 -0.146088D+01  0.952990D+00  0.919326D+01  0.168663D+00
               146           147           148           149           150 
      1   0.272455D+01  0.168663D+00  0.271540D+01 -0.309281D+01 -0.463226D+00
      2  -0.353191D+01 -0.675065D+00 -0.309281D+01  0.734011D+01  0.445963D+00
      3  -0.675065D+00 -0.747425D+00 -0.463226D+00  0.445963D+00  0.943417D+00
               151           152           153           154           155 
      1  -0.741977D+00  0.443554D+00 -0.506967D+00  0.375825D+01  0.236374D+01
      2   0.443554D+00 -0.103432D+01  0.987167D+00  0.236374D+01  0.257925D+01
      3  -0.506967D+00  0.987167D+00  0.592277D+00  0.256816D+01  0.142581D+01
               156           157           158           159           160 
      1   0.256816D+01  0.143487D+01  0.224930D+01  0.935692D+00  0.226037D+01
      2   0.142581D+01  0.224930D+01  0.310722D+01  0.198561D+01  0.132521D+01
      3   0.226761D+01  0.935692D+00  0.198561D+01  0.183932D+01  0.224963D+01
               161           162           163           164           165 
      1   0.132521D+01  0.224963D+01 -0.497246D+01 -0.173742D+01 -0.325546D+01
      2   0.208007D+01  0.251044D+01 -0.173742D+01 -0.201019D+01 -0.114364D+01
      3   0.251044D+01  0.363366D+01 -0.325546D+01 -0.114364D+01 -0.299294D+01
               166           167           168           169           170 
      1  -0.562879D+00 -0.105987D+01 -0.220918D+00 -0.285314D+01 -0.787348D+00
      2  -0.105987D+01 -0.430363D+00 -0.499952D+00 -0.787348D+00 -0.853599D+00
      3  -0.220918D+00 -0.499952D+00 -0.409133D+00 -0.253314D+01 -0.150778D+01
               171           172           173           174           175 
      1  -0.253314D+01 -0.761694D+00 -0.120422D+01  0.764499D-01 -0.912289D+00
      2  -0.150778D+01 -0.120422D+01 -0.976014D+00  0.383751D+00 -0.900560D+00
      3  -0.346664D+01  0.764499D-01  0.383751D+00 -0.488943D+00  0.308703D+00
               176           177           178           179           180 
      1  -0.900560D+00  0.308703D+00  0.548184D+00  0.777571D+00 -0.399775D+00
      2  -0.555234D+01  0.214758D+01  0.777571D+00  0.398301D+01 -0.204050D+01
      3   0.214758D+01 -0.168527D+01 -0.399775D+00 -0.204050D+01  0.268773D+01
               181           182           183           184           185 
      1   0.293904D+01 -0.162245D+01 -0.218918D+01 -0.101355D+01  0.134768D+01
      2  -0.162245D+01  0.253715D+01  0.157384D+01  0.134768D+01 -0.201236D+01
      3  -0.218918D+01  0.157384D+01  0.221983D+01  0.826106D+00 -0.102918D+01
               186           187           188           189           190 
      1   0.826106D+00 -0.202395D+01  0.945570D+00  0.143569D+01  0.105942D+01
      2  -0.102918D+01  0.945570D+00 -0.161199D+01 -0.213971D+01  0.802081D+00
      3  -0.126821D+01  0.143569D+01 -0.213971D+01 -0.331957D+01 -0.996011D+00
               191           192           193           194           195 
      1   0.802081D+00 -0.996011D+00  0.147789D+01  0.453673D+00 -0.436193D+00
      2   0.322075D+00 -0.310896D+00  0.453673D+00  0.912439D+00 -0.139467D+01
      3  -0.310896D+00  0.132954D+01 -0.436193D+00 -0.139467D+01  0.174805D+01
               196           197           198           199           200 
      1  -0.191057D+01 -0.144102D+00  0.188001D+01  0.135417D+01 -0.131183D+01
      2  -0.144102D+00 -0.155230D+01  0.156573D+01 -0.131183D+01  0.120336D+01
      3   0.188001D+01  0.156573D+01 -0.494695D+01  0.974112D-01  0.291177D+00
               201           202           203           204           205 
      1   0.974112D-01 -0.271704D+01  0.277751D+01  0.567166D+00  0.185084D+00
      2   0.291177D+00  0.277751D+01 -0.741810D+01 -0.117471D+01  0.450983D+00
      3   0.344114D+00  0.567166D+00 -0.117471D+01 -0.104058D+01  0.754490D+00
               206           207           208           209           210 
      1   0.450983D+00  0.754490D+00  0.733880D+01  0.895738D+00  0.262229D+01
      2  -0.967383D+00 -0.880021D+00  0.895738D+00  0.102001D+01  0.235333D+00
      3  -0.880021D+00 -0.714227D+00  0.262229D+01  0.235333D+00  0.170016D+01
               211           212           213           214           215 
      1   0.223930D+01  0.143425D+01  0.640286D+00  0.472031D+01  0.308122D+00
      2   0.143425D+01  0.220706D+00  0.416116D+00  0.308122D+00  0.696096D+00
      3   0.640286D+00  0.416116D+00  0.897538D+00  0.252831D+01  0.630593D+00
               216           217           218           219           220 
      1   0.252831D+01 -0.452794D+01 -0.222334D-01  0.218427D+01  0.121427D+00
      2   0.630593D+00 -0.222334D-01 -0.116683D+01  0.840673D+00 -0.701655D+00
      3   0.221588D+01  0.218427D+01  0.840673D+00 -0.266070D+01  0.360203D+00
               221           222           223           224           225 
      1  -0.701655D+00  0.360203D+00  0.185761D+01  0.307454D+00 -0.159721D+01
      2  -0.568324D+00  0.384809D+00  0.307454D+00  0.339362D+00 -0.151188D+00
      3   0.384809D+00  0.232056D+00 -0.159721D+01 -0.151188D+00  0.276901D+01
               226           227           228           229           230 
      1   0.353378D+01  0.186466D+00  0.334907D+01  0.107850D+01  0.866167D+00
      2   0.186466D+00  0.109427D+01 -0.214977D-01  0.866167D+00  0.130163D+00
      3   0.334907D+01 -0.214977D-01  0.390032D+01  0.889010D+00  0.690681D+00
               231           232           233           234           235 
      1   0.889010D+00  0.260509D+01  0.130261D+00  0.306905D+01  0.666342D+00
      2   0.690681D+00  0.130261D+00  0.579478D+00  0.402482D+00 -0.121115D+01
      3   0.195302D+01  0.306905D+01  0.402482D+00  0.587113D+01  0.625487D+00
               236           237           238           239           240 
      1  -0.121115D+01  0.625487D+00 -0.131912D+01  0.163419D+01 -0.245330D+00
      2   0.137190D+01 -0.136583D+00  0.163419D+01 -0.853820D+01  0.111464D+01
      3  -0.136583D+00  0.656501D+00 -0.245330D+00  0.111464D+01 -0.139429D+01
               241           242           243 
      1   0.126873D+00  0.216358D+00  0.394720D+00
      2   0.216358D+00 -0.674554D+00 -0.623922D+00
      3   0.394720D+00 -0.623922D+00 -0.168996D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.153013D+01  0.107954D+01  0.201847D+01  0.275830D+01 -0.609240D+01
      2   0.882744D+01 -0.314558D+00  0.425802D+01  0.166586D+01 -0.431998D+01
      3   0.455533D+00 -0.704435D+01 -0.188669D+01  0.119533D+01  0.748430D+01
                 6             7             8             9            10 
      1  -0.398005D+01  0.458032D+01  0.408581D+01  0.167096D+01 -0.503822D+01
      2   0.303431D+01 -0.358467D+01  0.338356D+01 -0.279248D+01 -0.191326D+01
      3   0.257153D+01 -0.251154D+01  0.292657D+01 -0.379381D+01 -0.205828D+01
                11            12            13            14            15 
      1  -0.268708D+01  0.876890D+00  0.164604D+01  0.500721D+01 -0.119907D+02
      2  -0.346779D+01  0.214322D+01 -0.309616D+01 -0.352412D+00  0.143409D+01
      3  -0.338554D+01  0.442562D+01  0.726331D+01  0.387899D+00  0.133612D+01
                16            17            18            19            20 
      1  -0.604442D+01 -0.166481D+00 -0.192076D+01  0.479135D+01  0.441130D+01
      2  -0.678171D+01  0.382312D+01 -0.594898D+01  0.505048D+01 -0.124310D+01
      3   0.419112D+01  0.254007D+01 -0.138672D+00 -0.262928D+00 -0.443011D+01
                21            22            23            24            25 
      1   0.445561D+01 -0.633228D+00  0.183402D+01  0.594192D+01  0.521830D+01
      2   0.113638D+02 -0.126967D+01 -0.688209D+00 -0.774394D+01  0.329050D+01
      3   0.316554D+00  0.760121D+00 -0.276990D+00 -0.182880D+01  0.754015D+00
                26            27            28            29            30 
      1   0.107702D+02 -0.217217D+01 -0.493242D+01 -0.685051D+01 -0.122205D+01
      2  -0.775102D+01  0.719219D+00 -0.212087D+01 -0.203586D+01  0.527933D+01
      3  -0.201668D+01  0.465266D+00 -0.861702D+01 -0.129392D+02  0.589604D+01
                31            32            33            34            35 
      1  -0.628425D+01 -0.235712D+01 -0.114060D+02 -0.820262D+00 -0.537794D+01
      2  -0.512543D+00  0.494930D+01  0.318046D+01  0.322407D+00  0.238481D+01
      3  -0.338948D+01  0.120562D+02  0.829150D+00  0.543047D+01  0.166553D+01
                36            37            38            39            40 
      1   0.675100D+01  0.380715D+01  0.870676D+00  0.425973D+00  0.726736D-01
      2  -0.428050D+01 -0.563767D+01 -0.649049D+00  0.497920D+01 -0.107650D+01
      3  -0.153358D+01  0.529377D+01 -0.313991D+01 -0.428547D+01  0.596271D+01
                41            42            43            44            45 
      1   0.540339D+01  0.956606D+00 -0.382319D+00  0.910764D+01 -0.772889D+01
      2   0.219768D+01 -0.134425D+01 -0.275470D+01 -0.886521D+00  0.320365D+01
      3  -0.990307D+01 -0.173551D+01 -0.349435D+01 -0.195412D+01 -0.230642D+00
                46            47            48            49            50 
      1   0.325958D+01  0.167972D+01  0.483309D+01  0.449280D+01 -0.141557D+02
      2  -0.339503D+01  0.710906D+01 -0.193510D+01  0.478398D+01 -0.316161D+01
      3   0.591172D+00  0.130786D+01 -0.689015D+01  0.644172D+01  0.207056D+01
                51            52            53            54            55 
      1  -0.176230D+01  0.913754D+00  0.107749D+02  0.150483D+02 -0.498681D+01
      2  -0.474300D+00 -0.104019D+02  0.972051D+00  0.603506D+01  0.238219D+01
      3  -0.268038D+01 -0.589268D+01 -0.286719D+01  0.316741D+00 -0.504152D+01
                56            57            58            59            60 
      1   0.623075D+01 -0.233269D+01  0.426669D+01 -0.516552D+01 -0.616461D+01
      2   0.797556D+00 -0.368469D+01  0.709854D+00 -0.692841D+01 -0.244103D+01
      3   0.326159D+01  0.515680D+01  0.677110D+01  0.189828D+01  0.167628D+01
                61            62            63            64            65 
      1  -0.711549D-01  0.505155D+01  0.113003D+02  0.651384D+01 -0.161814D+01
      2  -0.764875D+01 -0.659558D-01  0.767289D+01 -0.202744D+01  0.489236D+01
      3   0.345142D+01  0.424373D+00  0.296068D+01 -0.202716D+01 -0.969983D+01
                66            67            68            69            70 
      1   0.356917D+01 -0.284254D+01 -0.679208D+01  0.760855D+01  0.310437D+01
      2   0.813920D+01  0.297513D+01  0.209882D+01 -0.390027D+01  0.257950D+01
      3  -0.130632D+02 -0.203969D+01  0.164009D+01  0.875233D+00 -0.108807D+02
                71            72            73            74            75 
      1   0.151277D+02 -0.227879D+01 -0.688245D-01 -0.494406D+00 -0.504007D+01
      2  -0.531720D+01  0.722153D+00  0.383545D+01  0.262059D+00  0.123979D+02
      3  -0.395696D-01  0.765223D-01 -0.354889D+01 -0.136734D+02  0.409355D+00
                76            77            78            79            80 
      1  -0.311483D+01  0.277381D+01 -0.154757D+01  0.128493D+01 -0.157199D+01
      2  -0.722406D+00  0.316673D+01  0.331963D+01  0.444460D+01  0.588165D+00
      3  -0.354400D+01 -0.783037D+01 -0.711212D-01  0.440066D-01  0.486745D+00
                81            82            83            84            85 
      1  -0.567738D+01 -0.217375D+01  0.823909D-01 -0.183336D+01  0.160822D+00
      2  -0.165628D+01 -0.118834D+02 -0.605672D+00 -0.492832D+01 -0.188532D+01
      3  -0.272366D+01  0.574798D+01  0.386472D+01  0.302374D+01  0.121081D+02
                86            87            88            89            90 
      1   0.562656D+00 -0.481937D+01 -0.387660D+01 -0.280296D+00  0.288248D+01
      2   0.569561D+01 -0.807067D+01 -0.129077D+02 -0.721085D+01  0.807801D+01
      3  -0.155663D+02 -0.611373D+01  0.422276D+01 -0.548625D+01  0.976880D+01
                91            92            93            94            95 
      1  -0.867642D+01 -0.452896D+01 -0.403484D+01 -0.594514D+01  0.165029D+02
      2  -0.100894D+02 -0.587126D+00  0.129873D+02 -0.254359D-02  0.496191D+01
      3  -0.267540D+01 -0.272281D+00  0.878717D+01  0.463308D+01 -0.376071D+01
                96            97            98            99           100 
      1  -0.572345D+01 -0.399255D+01  0.281905D+01 -0.896916D+01  0.717040D+00
      2  -0.135410D+01  0.611504D+01 -0.164433D+01  0.312177D+01  0.633442D+01
      3  -0.168865D+00  0.702969D+01 -0.128847D+01  0.512097D+01  0.108603D+01
               101           102           103           104           105 
      1  -0.446054D+01 -0.224165D+01 -0.585094D+00  0.404837D+01  0.128945D+00
      2  -0.145703D+01 -0.354012D+01 -0.224725D+01  0.134280D+01  0.149970D+01
      3  -0.139373D+01 -0.998141D+00  0.735078D+00  0.294003D+00  0.442326D+00
               106           107           108           109           110 
      1  -0.201522D+01  0.489757D+01  0.394095D+01 -0.320423D+00  0.373692D+01
      2  -0.572397D+01  0.147987D+01  0.340364D+01 -0.112704D+02  0.167027D+01
      3  -0.437669D+00  0.135335D+01  0.824903D+00 -0.329011D+01 -0.180597D+01
               111           112           113           114           115 
      1  -0.318697D+00  0.138934D+01 -0.169543D+01 -0.105760D+00  0.274438D+00
      2  -0.451890D+01  0.232651D+01 -0.200248D+01  0.196160D+01 -0.529317D+01
      3  -0.176508D+01  0.140790D+01 -0.113220D-01  0.512246D+00 -0.155298D+01
               116           117           118           119           120 
      1   0.162997D+01  0.559051D+00 -0.618706D+00  0.312274D+01  0.285861D+01
      2   0.156574D+01 -0.377924D+01 -0.212893D+01  0.246776D+01  0.271362D-01
      3  -0.446821D+00 -0.148378D+01 -0.510111D+01  0.647580D+01 -0.172948D+01
               121           122           123           124           125 
      1   0.199554D+01 -0.590096D+01 -0.402249D+01  0.126292D+01 -0.301146D+00
      2   0.205842D+01 -0.358284D+01  0.446687D+00 -0.140537D+01  0.102384D+01
      3   0.734652D+01 -0.103874D+02  0.153464D+01 -0.918043D+00  0.906890D+00
               126           127           128           129           130 
      1  -0.862564D+00  0.261730D+01 -0.598866D+00 -0.450153D+01  0.195021D+00
      2  -0.394797D+00  0.636074D+01  0.168236D+01  0.152945D+01  0.104768D+01
      3  -0.218524D+01  0.148416D+02  0.181746D+01 -0.381521D+01  0.302103D+01
               131           132           133           134           135 
      1   0.412248D+00 -0.656161D+00 -0.297842D+01  0.124676D+01  0.187303D+01
      2   0.615462D+00  0.129381D+00 -0.192668D+01 -0.384879D+00 -0.165942D+00
      3   0.107212D+01 -0.101240D+01 -0.396951D+01 -0.875194D+00  0.327371D+01
               136           137           138           139           140 
      1  -0.133796D+01  0.191672D+00  0.262015D+01  0.334441D+00 -0.125705D+01
      2  -0.108214D+01  0.510670D+00  0.103902D+01  0.671429D+00  0.909173D-02
      3   0.228429D+00 -0.201658D+01  0.115702D+01 -0.213242D+00 -0.139235D+01
               141           142           143           144           145 
      1   0.362450D+01  0.274842D+01  0.141493D+01 -0.175344D+02  0.342614D+01
      2   0.195787D+01 -0.280698D+01 -0.104381D+01 -0.100807D+02  0.356670D+01
      3   0.104217D+01  0.239139D+01  0.170995D+01 -0.257335D+01 -0.143843D+01
               146           147           148           149           150 
      1  -0.644045D+01  0.100245D+00 -0.440738D+01  0.112143D+02 -0.217983D+01
      2  -0.364308D+01  0.207051D+01 -0.386385D+01  0.553668D+01 -0.903295D+00
      3  -0.169021D+01 -0.873031D+00  0.344564D+01  0.437958D+01 -0.576954D+00
               151           152           153           154           155 
      1   0.996611D+00 -0.328572D+01  0.788751D+00 -0.217601D+01  0.116568D+01
      2   0.859352D+00 -0.177724D+01  0.768929D+00 -0.214402D+01 -0.809186D+00
      3  -0.124936D+01 -0.123912D+01  0.252073D+00  0.526538D+01 -0.309631D+00
               156           157           158           159           160 
      1  -0.327605D+01 -0.754322D-01 -0.159466D+00 -0.337054D+01 -0.220152D+01
      2   0.138336D+01 -0.136291D+01 -0.375154D+00  0.122918D+01 -0.180069D+01
      3   0.305895D+01  0.249718D+01  0.752126D+00  0.305992D+00  0.356488D+01
               161           162           163           164           165 
      1  -0.442852D-01 -0.428024D+01 -0.420804D+01  0.142950D+01 -0.534288D+01
      2   0.113432D+01  0.216141D+01 -0.556083D+01 -0.107767D+01  0.484466D-01
      3  -0.596304D+00  0.156116D+01  0.111861D+02 -0.140538D+00  0.649770D+01
               166           167           168           169           170 
      1   0.337879D+00 -0.557112D+00 -0.124339D+01 -0.449916D+01 -0.279111D+00
      2  -0.535863D+00 -0.122303D+01 -0.101074D+00 -0.340815D+01 -0.175818D+00
      3   0.126518D+01  0.217453D+01  0.649980D+00  0.652089D+01  0.491807D+00
               171           172           173           174           175 
      1  -0.533356D+01  0.162170D+01  0.178614D+01 -0.149033D+01  0.182437D+01
      2  -0.236960D+00 -0.729496D+00 -0.170894D+01  0.128863D+01 -0.607533D+00
      3   0.498888D+01  0.105884D+01  0.948850D+00 -0.285966D+00  0.337093D+01
               176           177           178           179           180 
      1   0.114852D+02 -0.940819D+01 -0.125832D+01 -0.850702D+01  0.111130D+02
      2  -0.288239D+01  0.206950D+01 -0.396755D+00  0.254109D+01 -0.332210D+01
      3  -0.184441D+01  0.998171D+00 -0.219328D+01  0.156343D+01 -0.806043D+00
               181           182           183           184           185 
      1  -0.272393D+01 -0.151779D+01  0.357888D+01  0.147118D+00  0.486176D+00
      2   0.698273D+01 -0.301359D+01 -0.286074D+01 -0.226720D+01  0.227466D+01
      3  -0.953698D+01  0.349563D+01  0.595069D+01  0.453226D+01 -0.347181D+01
               186           187           188           189           190 
      1  -0.269010D+01  0.203033D+01 -0.663964D+00 -0.425532D+01 -0.965596D+00
      2   0.144211D+01 -0.539124D+01  0.232923D+01  0.300467D+01 -0.206480D+01
      3  -0.247726D+01  0.629994D+01 -0.213875D+01 -0.446309D+01 -0.237318D+01
               191           192           193           194           195 
      1  -0.626152D+00  0.738734D+00 -0.143351D+00 -0.210923D+01  0.122434D+01
      2  -0.572232D+00  0.386317D+01  0.308006D+00 -0.445072D+01  0.616426D+01
      3  -0.196215D+01  0.164662D+01 -0.419813D+00 -0.423264D+01  0.493302D+01
               196           197           198           199           200 
      1   0.831884D+00  0.422059D+01 -0.367463D+01  0.507209D+00 -0.365099D+00
      2   0.121714D+01  0.571796D+01 -0.154466D+02  0.622119D+00  0.463425D+00
      3   0.686826D+00  0.614776D+01 -0.620203D+01  0.258935D+01 -0.344821D+01
               201           202           203           204           205 
      1   0.432629D+00 -0.116161D+00  0.167380D+01 -0.316245D+01  0.347497D+00
      2   0.166013D+01  0.748460D+00 -0.325595D+01 -0.380363D+01  0.104361D+01
      3  -0.994562D+00 -0.243463D+01  0.206376D+02  0.315229D+01 -0.122637D+01
               206           207           208           209           210 
      1   0.611667D+00 -0.501558D+00  0.175887D+01  0.825822D+00  0.832489D+00
      2  -0.205546D+01 -0.204643D+01  0.815357D+01  0.125903D+01  0.799170D+01
      3   0.300172D+01  0.185707D+01 -0.683730D+01 -0.557170D+01 -0.254963D+01
               211           212           213           214           215 
      1   0.461198D+00  0.718733D+00 -0.320418D+00  0.190718D+01  0.162700D+01
      2   0.184632D+01  0.122158D+01  0.347590D+01  0.590638D+01  0.205798D+01
      3  -0.375668D+01 -0.199491D+01 -0.133277D+01 -0.353244D+01 -0.345981D+01
               216           217           218           219           220 
      1   0.886252D+00  0.420093D+01 -0.316412D+01 -0.215201D+01 -0.173121D+01
      2   0.775518D+01  0.152363D+02 -0.444519D+00 -0.492873D+01 -0.371344D+00
      3  -0.346040D+01  0.807021D+01 -0.158766D+01 -0.339516D+01  0.812075D+00
               221           222           223           224           225 
      1  -0.171959D+00  0.373402D+00 -0.217609D+01  0.184325D+01  0.297134D+01
      2   0.212389D+01 -0.360822D+00 -0.730824D+01 -0.441927D+00  0.478767D+01
      3   0.120694D+01 -0.731940D+00 -0.324509D+01  0.220526D+00  0.233596D+01
               226           227           228           229           230 
      1   0.499998D+01  0.386330D+01  0.498893D+01  0.274713D+01  0.178836D+01
      2  -0.505093D+01 -0.907567D+00 -0.122051D+01 -0.200754D+01 -0.979505D+00
      3  -0.410314D+01 -0.310145D+01 -0.386962D+01 -0.121530D+01 -0.157918D+01
               231           232           233           234           235 
      1   0.275118D+01  0.435357D+01  0.394783D+01  0.826432D+01 -0.152410D+01
      2   0.670979D+00 -0.530754D+01  0.323814D-01 -0.173191D-01 -0.282626D+00
      3  -0.149815D+01 -0.352700D+01 -0.176758D+01 -0.425213D+01  0.197253D-01
               236           237           238           239           240 
      1   0.287596D+01  0.145628D+01  0.307840D+01 -0.180820D+02 -0.330198D+01
      2   0.200738D+01  0.413575D+00  0.268696D+01 -0.199152D+01 -0.151829D+01
      3  -0.683020D+00 -0.511221D+00  0.305398D+01  0.667538D+01 -0.654977D+00
               241           242           243 
      1   0.938865D+00 -0.157499D+01 -0.227399D+01
      2  -0.540743D+00 -0.757327D+00 -0.124220D+01
      3   0.435357D-01  0.737131D+00  0.436881D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.868838D+01  0.336865D+01  0.120515D+02  0.391066D+01  0.782982D+01
      2  -0.104672D+01 -0.225377D+01 -0.823249D+01 -0.317222D+01 -0.256251D+01
      3   0.973510D+01 -0.111487D+01 -0.381905D+01 -0.738438D+00 -0.526731D+01
      4  -0.467753D+00  0.336928D+01 -0.473407D+01  0.490082D+01 -0.114554D+02
      5   0.102492D+02 -0.842065D+00  0.674544D+01  0.612135D+00  0.421541D+00
      6  -0.707176D+01  0.221743D+01 -0.194373D+01  0.243843D+01 -0.488537D+01
                 6             7             8             9            10 
      1  -0.394161D+01  0.158321D+02 -0.282145D+01  0.897434D+01 -0.622153D+00
      2  -0.297053D+01 -0.885626D+01 -0.136953D+01 -0.424162D+01  0.543796D+00
      3   0.691214D+01 -0.697586D+01  0.419098D+01 -0.473272D+01  0.783568D-01
      4  -0.915024D+00 -0.446232D+01 -0.670211D+00  0.167530D+01  0.597220D+01
      5   0.574047D+01  0.748195D+01  0.512573D+01 -0.204029D+01 -0.807721D+00
      6  -0.371281D+01 -0.152328D+01 -0.434489D+01  0.283747D+01  0.720582D+01
                11            12            13            14            15 
      1   0.528346D+01  0.830442D+00  0.660747D+01  0.466731D+00 -0.108269D+02
      2  -0.178162D+01  0.307503D+01 -0.192192D+00  0.581704D+01 -0.340572D+01
      3  -0.350185D+01 -0.390547D+01 -0.641528D+01 -0.628378D+01  0.142326D+02
      4   0.308427D+01  0.362168D+01  0.217110D+00  0.721247D+00 -0.132345D+01
      5  -0.159108D+01  0.319475D+01 -0.200955D+01 -0.197467D+01 -0.317616D+01
      6  -0.111677D+01  0.552571D+00 -0.372599D+00  0.241301D+01 -0.427747D+01
                16            17            18            19            20 
      1  -0.115022D+02 -0.697711D+01 -0.117546D+01  0.585675D+01 -0.275616D+01
      2   0.392788D+01 -0.322642D+01  0.126420D+01  0.107698D+02 -0.105600D+02
      3   0.757428D+01  0.102035D+02 -0.887417D-01 -0.166266D+02  0.133161D+02
      4   0.555592D+01 -0.381639D+01  0.260420D+01  0.434150D+01 -0.301811D+01
      5   0.183481D+01 -0.350568D+00  0.409304D-01 -0.912056D+01  0.313402D+01
      6   0.184498D+00 -0.613128D+00  0.976480D+01  0.420888D+01 -0.105469D+01
                21            22            23            24            25 
      1  -0.714167D+01 -0.918927D+01 -0.619506D+01  0.124348D+02 -0.121793D+01
      2  -0.409817D+01 -0.758951D+01 -0.609705D+01  0.916454D+00 -0.505856D+01
      3   0.112398D+02  0.167788D+02  0.122921D+02 -0.133512D+02  0.627648D+01
      4   0.310424D+01 -0.255786D+01 -0.307161D+01 -0.191229D+01  0.147271D+01
      5  -0.187156D+02  0.477433D+01  0.250395D+01  0.105601D+02 -0.130141D+02
      6   0.979441D+01 -0.252725D+01 -0.470475D+01  0.695644D+01  0.727609D+01
                26            27            28            29            30 
      1   0.682513D+01  0.201147D+01 -0.494148D+01 -0.148930D+02  0.537258D+01
      2   0.654096D+00  0.100176D+02 -0.529466D+01  0.239141D+02  0.674139D+00
      3  -0.747922D+01 -0.120291D+02  0.102361D+02 -0.902115D+01 -0.604672D+01
      4  -0.183955D+01  0.312688D+01 -0.168728D+02 -0.106632D+02  0.110744D+02
      5   0.743141D+01  0.250712D+01  0.111827D+02  0.710550D+01 -0.337946D+01
      6   0.470987D+01 -0.455033D+01  0.137650D+02 -0.134569D+01 -0.455297D+01
                31            32            33            34            35 
      1  -0.946563D+01  0.150122D+02 -0.308523D+00  0.475470D+01  0.848803D+00
      2   0.164784D+02 -0.211330D+02  0.829584D+01  0.104191D+01  0.777042D+01
      3  -0.701279D+01  0.612074D+01 -0.798731D+01 -0.579661D+01 -0.861923D+01
      4  -0.363293D+01  0.113970D+02  0.176148D+01  0.983980D+01  0.366060D+01
      5   0.308455D+01 -0.345127D+01 -0.767577D-01 -0.380359D+01  0.343536D+00
      6  -0.149344D+01  0.867407D+01  0.109664D+01 -0.293158D+01  0.271096D+01
                36            37            38            39            40 
      1  -0.736449D+01  0.868653D+00  0.461498D+01  0.193693D+00  0.287782D+01
      2   0.640156D+01  0.150791D+01 -0.891177D+01 -0.308361D+01 -0.586156D+01
      3   0.962928D+00 -0.237656D+01  0.429679D+01  0.288991D+01  0.298374D+01
      4   0.301328D+01  0.162475D+01 -0.675360D+01 -0.102883D+02 -0.627914D+01
      5  -0.192985D+01 -0.411011D+01 -0.747655D+01 -0.859067D+01 -0.428289D+01
      6  -0.999163D+01 -0.119707D+02 -0.103693D+02 -0.398315D+01 -0.760917D+01
                41            42            43            44            45 
      1  -0.803992D+01  0.155882D+00 -0.246530D+01 -0.952475D+00  0.290962D+01
      2   0.113089D+02 -0.434693D+00 -0.217738D+00 -0.907949D+00 -0.804539D+01
      3  -0.326897D+01  0.278811D+00  0.268304D+01  0.186042D+01  0.513576D+01
      4  -0.233785D+01 -0.448425D+01 -0.875541D+01 -0.472266D+01 -0.105503D+02
      5  -0.504531D+01 -0.654315D+01 -0.729160D+01 -0.823008D+01 -0.460384D+01
      6   0.103850D+01 -0.837842D+01 -0.578274D+01 -0.110955D+02  0.257695D+01
                46            47            48            49            50 
      1  -0.497269D+02 -0.689947D+01  0.270455D+01 -0.166822D+02  0.638243D+00
      2   0.232368D+02 -0.120718D+01 -0.277300D+01  0.806496D+01 -0.304263D+01
      3   0.264902D+02  0.810665D+01  0.684552D-01  0.861723D+01  0.240438D+01
      4  -0.128153D+02 -0.790567D+01  0.223174D+01 -0.228899D+00 -0.331835D+01
      5   0.504329D+01  0.457832D+01 -0.665574D+01  0.232248D+01  0.967730D+00
      6   0.390335D+00  0.762952D+00 -0.494265D+01  0.328847D+01 -0.455651D+01
                51            52            53            54            55 
      1   0.107371D+02  0.768686D+00  0.937060D+01 -0.878551D+00  0.179038D+01
      2  -0.757633D+00  0.155696D+01 -0.497688D+01 -0.137714D+01 -0.672113D+01
      3  -0.997943D+01 -0.232564D+01 -0.439371D+01  0.225569D+01  0.493076D+01
      4   0.237541D+01 -0.114418D+01  0.384777D+01 -0.233887D+01  0.811411D+00
      5  -0.340148D+01  0.312091D+01 -0.605203D+00  0.648063D-01 -0.297033D+01
      6  -0.277936D+01  0.963001D-01  0.111631D+00 -0.579374D+01  0.407619D+01
                56            57            58            59            60 
      1  -0.766120D+01 -0.675409D+01  0.913695D+00 -0.220101D+01 -0.813588D+01
      2   0.162511D+02  0.195727D+01  0.908712D+01 -0.115144D+02  0.725028D-01
      3  -0.858991D+01  0.479682D+01 -0.100008D+02  0.137154D+02  0.806338D+01
      4  -0.124804D+02  0.690244D+00 -0.855786D+01  0.165329D+02 -0.186531D+01
      5  -0.157281D+01  0.468177D+00 -0.339843D+00  0.263115D+01 -0.858612D+00
      6   0.938783D+01  0.334909D+01  0.366649D+01  0.774736D+00  0.850514D+01
                61            62            63            64            65 
      1   0.181052D+01 -0.306889D+01  0.102151D+02  0.544042D+01 -0.545788D+01
      2  -0.468106D+01  0.755805D+01  0.152422D+02  0.380833D+01  0.250927D+01
      3   0.287054D+01 -0.448916D+01 -0.254573D+02 -0.924876D+01  0.294861D+01
      4   0.368671D+01 -0.393917D+01  0.501362D+01 -0.519619D+01 -0.917408D+01
      5   0.106601D+01  0.152160D+00  0.124717D+02 -0.860936D+01 -0.769558D+01
      6   0.819100D+00  0.552688D+01 -0.856466D+01 -0.204867D+02  0.742008D+01
                66            67            68            69            70 
      1  -0.922209D+01 -0.455938D+01 -0.184195D+01 -0.274550D+01 -0.756426D+01
      2   0.111724D+02  0.888789D+00 -0.397577D+01  0.169376D+02  0.103242D+02
      3  -0.195033D+01  0.367059D+01  0.581773D+01 -0.141921D+02 -0.275997D+01
      4  -0.182035D+02 -0.594816D+01  0.144217D+01  0.841910D+01 -0.157846D+02
      5  -0.170601D+02 -0.374512D+01  0.652693D+01  0.266113D+00 -0.143620D+02
      6  -0.360826D+00  0.682234D+01  0.138789D+02 -0.602953D+01 -0.655930D+00
                71            72            73            74            75 
      1  -0.544208D+01  0.372454D+01  0.102770D+03  0.134820D+02 -0.342849D+01
      2   0.205589D+02 -0.765671D+01 -0.499031D+02 -0.396904D+01  0.259250D+01
      3  -0.151169D+02  0.393217D+01 -0.528670D+02 -0.951298D+01  0.835997D+00
      4   0.938577D+01 -0.453815D+01  0.177524D+02  0.203183D+02 -0.219665D+01
      5  -0.814150D+00 -0.154076D+01 -0.878722D+01 -0.306660D+01  0.179805D+02
      6  -0.101545D+02 -0.644512D+01 -0.493879D+01 -0.281372D+01  0.325912D+01
                76            77            78            79            80 
      1   0.154497D+02  0.134269D+02 -0.276796D+01  0.152248D+01 -0.188041D+01
      2  -0.619243D+01 -0.123539D+01  0.142879D+01  0.187901D+01  0.103332D+01
      3  -0.925728D+01 -0.121915D+02  0.133918D+01 -0.340149D+01  0.847081D+00
      4   0.249052D+02  0.129056D+02 -0.278846D+01 -0.255765D+01 -0.185390D+01
      5  -0.401806D+01 -0.342905D+01  0.451798D+01  0.216315D+02  0.483414D+01
      6  -0.362379D+01 -0.197705D+01  0.536026D+01  0.244388D+01  0.456218D+01
                81            82            83            84            85 
      1   0.109287D+02 -0.364224D+01 -0.113645D+02 -0.237675D+02 -0.159625D+02
      2  -0.101275D+02  0.425634D+01  0.841429D+01  0.125160D+02  0.137333D+02
      3  -0.801211D+00 -0.614094D+00  0.295025D+01  0.112515D+02  0.222919D+01
      4   0.407121D+01 -0.100963D+02 -0.572895D+01  0.124150D+01 -0.971860D+01
      5  -0.445409D+01 -0.233704D+02 -0.933346D+00 -0.103942D+02 -0.373587D+01
      6  -0.930896D+00  0.415313D+01  0.917841D+00  0.891829D+00  0.184578D+01
                86            87            88            89            90 
      1  -0.491736D+00 -0.100004D+01 -0.294689D+02 -0.915419D+00 -0.129604D+02
      2  -0.991876D+01 -0.275389D+01  0.151175D+02 -0.275305D+01  0.107993D+02
      3   0.104105D+02  0.375393D+01  0.143514D+02  0.366847D+01  0.216111D+01
      4   0.264967D+02  0.716083D+01 -0.998227D+00  0.665897D+01 -0.986816D+01
      5   0.742334D+01 -0.124808D+02 -0.143219D+02 -0.116834D+02  0.869405D+01
      6  -0.560722D+01  0.951163D+00  0.543777D+00  0.134497D+01 -0.347878D+00
                91            92            93            94            95 
      1   0.989068D+01 -0.289276D+01 -0.692516D+01 -0.339831D+01  0.372455D+01
      2   0.113243D+02  0.855566D+01  0.132911D+02  0.106978D+02 -0.236728D+02
      3  -0.212149D+02 -0.566290D+01 -0.636591D+01 -0.729953D+01  0.199482D+02
      4  -0.571730D+01 -0.187504D+01  0.640793D+01 -0.231676D+01  0.140342D+02
      5  -0.262877D+01 -0.242269D+01 -0.225254D+02 -0.499948D+01 -0.269290D+01
      6   0.479026D+01 -0.303435D+01 -0.236139D+01 -0.394143D+01  0.118654D+02
                96            97            98            99           100 
      1   0.548138D+01 -0.755870D+01  0.691708D+01 -0.971761D+01 -0.137953D+01
      2   0.731708D+01  0.131083D+02  0.609732D+00  0.140391D+02 -0.931965D+01
      3  -0.127985D+02 -0.554958D+01 -0.752681D+01 -0.432151D+01  0.106992D+02
      4   0.200847D+01  0.574444D+01  0.403252D+01 -0.247249D+01 -0.102465D+01
      5  -0.978629D+01 -0.202819D+02 -0.711394D+01 -0.896825D+01 -0.105012D+02
      6   0.821668D+01 -0.140398D+01  0.968911D+01 -0.994667D+01 -0.646929D-01
               101           102           103           104           105 
      1  -0.163915D+00  0.624390D+01  0.218261D+01 -0.278514D+01 -0.709202D+01
      2   0.375808D+01  0.109821D+02  0.323823D+01 -0.183816D+01 -0.627616D+01
      3  -0.359417D+01 -0.172260D+02 -0.542084D+01  0.462330D+01  0.133682D+02
      4   0.208015D+01 -0.332885D+00  0.191788D+01 -0.988324D+00 -0.124805D+01
      5   0.216594D+01  0.145664D+02  0.247844D+01 -0.391488D+01 -0.428897D+01
      6  -0.433506D+01 -0.976916D+00 -0.263557D+01  0.517459D+01  0.608554D+01
               106           107           108           109           110 
      1   0.399659D+01 -0.254304D+01 -0.169971D+02  0.378562D+01  0.182609D+01
      2   0.770849D+01 -0.364610D+01 -0.219640D+02 -0.120695D+02  0.124931D+01
      3  -0.117051D+02  0.618913D+01  0.389611D+02  0.828392D+01 -0.307540D+01
      4  -0.279864D+00 -0.113285D+01 -0.975413D+00 -0.949083D+01  0.559130D+01
      5   0.111654D+02 -0.327759D+01 -0.141010D+02  0.225768D+02 -0.503519D+01
      6  -0.103632D+01  0.530640D+01  0.144842D+01 -0.753022D+01  0.733177D+01
               111           112           113           114           115 
      1  -0.242124D+01  0.131384D+01 -0.166722D+01  0.206755D+01 -0.210640D+01
      2  -0.995495D+01  0.977098D+00  0.136125D+01  0.123699D+00 -0.659081D+01
      3   0.123762D+02 -0.229094D+01  0.305963D+00 -0.219125D+01  0.869722D+01
      4  -0.685156D+01  0.585519D+01 -0.291592D+01  0.368926D+01 -0.413236D+01
      5   0.197069D+02 -0.445796D+01  0.469593D+01 -0.466355D+01  0.132304D+02
      6  -0.899549D+01  0.581286D+01 -0.568945D+01  0.728701D+01 -0.604807D+01
               116           117           118           119           120 
      1   0.165817D+01 -0.715038D+01 -0.316098D+01  0.115141D+02 -0.360111D+01
      2   0.512177D+00 -0.121257D+02  0.906194D+01 -0.205283D+02  0.239190D+01
      3  -0.217034D+01  0.192760D+02 -0.590095D+01  0.901420D+01  0.120921D+01
      4   0.216200D+01 -0.524445D+01 -0.583896D+01  0.118712D+02 -0.307201D+01
      5  -0.413206D+01  0.141786D+02  0.131050D+01 -0.393712D+01  0.231810D+01
      6   0.499352D+01 -0.818950D+01 -0.546933D+01  0.807224D+01 -0.495015D+01
               121           122           123           124           125 
      1   0.673159D+01 -0.309458D+02  0.620214D+01 -0.155068D+01  0.421192D+01
      2  -0.112503D+02  0.557074D+02 -0.814260D+01  0.310588D+00 -0.369803D+01
      3   0.451871D+01 -0.247616D+02  0.194046D+01  0.124009D+01 -0.513888D+00
      4   0.853557D+01 -0.759808D+01  0.634921D+00 -0.166231D+01  0.564102D+00
      5  -0.283282D+01  0.250831D+01 -0.588973D+00  0.210507D+01 -0.604815D+00
      6   0.364699D+01 -0.206044D+02  0.107263D+02 -0.277881D+01  0.109139D+02
               126           127           128           129           130 
      1  -0.531581D+01  0.178952D+02  0.318735D+01 -0.193349D+01  0.140486D+01
      2   0.558438D+01 -0.297974D+01  0.433297D+01  0.905180D+00  0.342386D+01
      3  -0.268566D+00 -0.149154D+02 -0.752031D+01  0.102831D+01 -0.482872D+01
      4  -0.247766D+01  0.301485D+02  0.186451D+02 -0.105406D+02  0.121901D+02
      5   0.109945D+01 -0.183020D+02 -0.852158D+01  0.101586D+02 -0.443798D+01
      6  -0.376776D+01 -0.133199D+02 -0.896255D+01  0.101895D+02 -0.569132D+01
               131           132           133           134           135 
      1  -0.133250D+01  0.834772D+00 -0.178798D+01  0.936941D+00  0.914817D+00
      2   0.826756D+01 -0.334396D+01  0.174995D+01 -0.238040D+01 -0.313076D+01
      3  -0.693506D+01  0.250919D+01  0.380270D-01  0.144346D+01  0.221595D+01
      4   0.100196D+02 -0.490578D+01 -0.842669D+01 -0.568074D+01  0.733495D+01
      5  -0.474173D+01  0.285510D+01  0.102694D+02  0.467367D+01 -0.723368D+01
      6  -0.782588D+01  0.465180D+01  0.849418D+01  0.680647D+01 -0.701557D+01
               136           137           138           139           140 
      1  -0.938888D+00  0.117972D+01 -0.298371D+00  0.202149D+01 -0.285681D+01
      2  -0.406933D+01 -0.127031D+01  0.435104D+01 -0.265092D+01  0.367766D+00
      3   0.500821D+01  0.905985D-01 -0.405267D+01  0.629430D+00  0.248905D+01
      4  -0.109345D+01  0.394560D+01  0.361800D+01  0.156641D+01 -0.235502D+01
      5  -0.485644D+01  0.133782D+01  0.102441D+02 -0.149568D+01 -0.244209D+01
      6   0.233321D+01 -0.225565D+01 -0.263689D+01 -0.149094D+01  0.213888D+01
               141           142           143           144           145 
      1  -0.213931D+00 -0.909340D+00 -0.476887D+01 -0.233160D+02  0.561854D+01
      2   0.525898D+01  0.520477D+01  0.670785D+00 -0.223671D+02  0.573730D+01
      3  -0.504505D+01 -0.429543D+01  0.409808D+01  0.456831D+02 -0.113558D+02
      4  -0.139020D+01  0.354690D+01 -0.254951D+01 -0.639210D+01 -0.166613D+02
      5   0.254646D+01  0.916364D+01 -0.276397D+01 -0.203779D+02 -0.400480D+01
      6   0.492245D+01 -0.380403D+01  0.824476D+01  0.206080D+02  0.369878D+01
               146           147           148           149           150 
      1  -0.241304D-01  0.163241D+01  0.157765D-01 -0.123151D+02 -0.156188D+01
      2  -0.108138D+02 -0.130957D+01 -0.105773D+02  0.341548D+02  0.139604D+01
      3   0.108379D+02 -0.322839D+00  0.105615D+02 -0.218397D+02  0.165839D+00
      4   0.208322D+02  0.283736D+01  0.174193D+02 -0.281179D+02 -0.254997D+01
      5   0.555023D+01  0.374711D+01  0.426462D+01 -0.437881D+01 -0.301808D+01
      6  -0.658601D+01 -0.381162D+01 -0.574523D+01  0.120432D+02  0.630405D+01
               151           152           153           154           155 
      1   0.233232D+01 -0.258706D+00 -0.337048D+01  0.564738D+01 -0.457381D+00
      2   0.739375D+00 -0.522644D+01  0.180340D+01 -0.660563D+00  0.513052D+01
      3  -0.307169D+01  0.548515D+01  0.156708D+01 -0.498682D+01 -0.467314D+01
      4  -0.307804D+01  0.371068D+01 -0.431471D+01  0.157769D+02  0.145074D+02
      5   0.166081D+01 -0.282698D+01 -0.144638D+01  0.135091D+02  0.817901D+01
      6  -0.253637D+01  0.498976D+01  0.211069D+01  0.109539D+02  0.910958D+01
               156           157           158           159           160 
      1   0.115666D+01 -0.179958D+01 -0.565044D+01 -0.390649D+01  0.311604D+00
      2  -0.116494D+01  0.568127D+01  0.114287D+02  0.482520D+01 -0.148825D+01
      3   0.828372D-02 -0.388169D+01 -0.577825D+01 -0.918716D+00  0.117664D+01
      4   0.104874D+02  0.117366D+02  0.130593D+02  0.769824D+01  0.908057D+01
      5   0.116494D+02  0.562140D+01  0.764558D+01  0.557890D+01  0.113184D+02
      6   0.922186D+01  0.768611D+01  0.123686D+02  0.121646D+02  0.934065D+01
               161           162           163           164           165 
      1  -0.437484D+01 -0.570713D+01  0.922309D+01 -0.180906D+01  0.154011D+01
      2   0.335679D+01 -0.174818D+00 -0.936011D+01  0.475383D+01 -0.757216D+01
      3   0.101805D+01  0.588195D+01  0.137020D+00 -0.294477D+01  0.603205D+01
      4   0.833710D+01  0.105288D+02  0.204739D+02  0.119584D+02  0.138767D+02
      5   0.768118D+01  0.130287D+02  0.209856D+02  0.733553D+01  0.177265D+02
      6   0.142487D+02  0.163443D+02  0.140947D+02  0.867451D+01  0.125598D+02
               166           167           168           169           170 
      1  -0.138072D+01 -0.294351D+00 -0.119315D+01  0.162013D+01 -0.228397D+01
      2   0.399617D+01  0.163349D+01  0.177377D+01 -0.743400D+01 -0.904343D-01
      3  -0.261544D+01 -0.133914D+01 -0.580613D+00  0.581387D+01  0.237441D+01
      4   0.668839D+01  0.528542D+01  0.321520D+01  0.119213D+02  0.484497D+01
      5   0.210642D+01  0.396747D+01  0.124957D+01  0.155478D+02  0.479138D+01
      6   0.428813D+01  0.311986D+01  0.561669D+01  0.102462D+02  0.995653D+01
               171           172           173           174           175 
      1  -0.391841D+01 -0.582750D+00  0.662278D-01  0.210919D+00 -0.581899D+00
      2  -0.669319D+01  0.372758D+01  0.439672D+01 -0.245191D+01  0.488073D+01
      3   0.106116D+02 -0.314483D+01 -0.446295D+01  0.224099D+01 -0.429883D+01
      4   0.101746D+02  0.464769D+01  0.898477D+01 -0.149146D+01  0.758059D+01
      5   0.151226D+02  0.405823D+00  0.531913D+00  0.349472D+01  0.264884D+00
      6   0.145923D+02  0.260018D+00 -0.140696D+01  0.189543D+01 -0.134525D+01
               176           177           178           179           180 
      1  -0.139988D+02  0.456490D+01  0.360180D+00  0.880910D+01 -0.374323D+01
      2   0.355706D+02 -0.136304D+02 -0.368174D+01 -0.224510D+02  0.102400D+02
      3  -0.215718D+02  0.906552D+01  0.332156D+01  0.136419D+02 -0.649677D+01
      4   0.965365D+01 -0.403650D+01 -0.407800D+01 -0.746950D+01  0.384829D+01
      5  -0.241537D+01  0.170653D+01  0.256318D+01  0.223861D+01 -0.285961D+01
      6  -0.656919D+01  0.906177D+01  0.150334D+01  0.878649D+01 -0.122653D+02
               181           182           183           184           185 
      1  -0.337100D+01  0.875717D+01  0.837914D+01  0.463436D+01 -0.870237D+01
      2   0.647718D+00 -0.975354D+01 -0.199214D+01 -0.542855D+01  0.105959D+02
      3   0.272328D+01  0.996377D+00 -0.638700D+01  0.794190D+00 -0.189349D+01
      4  -0.138116D+02  0.883304D+01  0.991403D+01  0.641414D+01 -0.685820D+01
      5  -0.954603D+01  0.547864D+01  0.888336D+01  0.298661D+01 -0.459706D+01
      6   0.116933D+02 -0.124976D+02 -0.126902D+02 -0.695165D+01  0.989237D+01
               186           187           188           189           190 
      1  -0.615831D+01  0.531743D+01 -0.862837D+01 -0.123137D+02  0.686395D+01
      2   0.389818D+01 -0.844989D+00  0.406610D+01  0.105503D+01 -0.578022D+01
      3   0.226014D+01 -0.447244D+01  0.456227D+01  0.112586D+02 -0.108372D+01
      4  -0.495824D+01  0.890596D+01 -0.519004D+01 -0.621522D+01  0.366633D+01
      5  -0.247497D+01  0.800680D+01 -0.288211D+01 -0.587316D+01 -0.621469D+01
      6   0.105267D+02 -0.797610D+01  0.145338D+02  0.178084D+02 -0.759073D+00
               191           192           193           194           195 
      1   0.415699D+01 -0.432875D+01  0.841693D+01 -0.152623D-02 -0.125204D+01
      2  -0.279333D+01  0.467373D+01 -0.544508D+01  0.613683D+00  0.289752D+01
      3  -0.136366D+01 -0.344975D+00 -0.297185D+01 -0.612157D+00 -0.164549D+01
      4   0.290036D+01 -0.219323D+01  0.353034D+01  0.362866D+01 -0.620643D+01
      5  -0.297815D+01  0.107229D+02 -0.377937D+01 -0.624182D+01  0.891324D+01
      6  -0.559010D+00 -0.952259D-01 -0.544687D+00 -0.166571D+01  0.239502D+01
               196           197           198           199           200 
      1  -0.908542D+01  0.192817D+00  0.434963D+01  0.646955D+01 -0.554772D+01
      2   0.735685D+01  0.237949D+01 -0.122896D+02 -0.175695D+00  0.165828D+00
      3   0.172857D+01 -0.257230D+01  0.793996D+01 -0.629385D+01  0.538189D+01
      4  -0.758611D+00 -0.733470D+01  0.642009D+01 -0.869118D+01  0.117230D+02
      5   0.145387D+02  0.752935D+01 -0.252967D+02  0.822400D-01  0.266074D+01
      6  -0.933364D+00  0.307255D+01  0.589816D+00  0.119441D+01 -0.143190D+01
               201           202           203           204           205 
      1   0.120400D+01 -0.967397D+01 -0.299703D+01  0.542904D+00  0.189588D+01
      2  -0.879790D+00 -0.165714D+01  0.208835D+02  0.167466D+01 -0.134731D+01
      3  -0.324211D+00  0.113311D+02 -0.178864D+02 -0.221756D+01 -0.548567D+00
      4   0.226339D+01  0.201905D+02 -0.383212D+02 -0.575913D+01  0.290981D+01
      5   0.315527D+01  0.399856D+01 -0.526892D+01 -0.544704D+01  0.539540D+01
      6  -0.974450D+00 -0.245981D+01  0.737385D+01  0.623653D+01 -0.236514D+01
               206           207           208           209           210 
      1   0.222594D+00  0.724406D+00  0.508829D+02  0.637825D+01  0.165592D+02
      2   0.140723D+01  0.446536D+00 -0.275332D+02 -0.384660D+01 -0.976809D+01
      3  -0.162982D+01 -0.117094D+01 -0.233497D+02 -0.253165D+01 -0.679106D+01
      4  -0.514280D+01 -0.438234D+01  0.294070D+01  0.773099D+01  0.922680D+00
      5  -0.453533D+01 -0.366383D+01  0.192444D+02  0.207992D+01  0.134951D+02
      6   0.600224D+01  0.232071D+01 -0.182908D+01  0.586159D+00 -0.122249D+01
               211           212           213           214           215 
      1   0.139757D+02  0.617913D+01  0.337188D+01  0.275979D+02  0.208574D+01
      2  -0.807540D+01 -0.166219D+01 -0.190115D+01 -0.162375D+02 -0.123621D+01
      3  -0.590029D+01 -0.451694D+01 -0.147073D+01 -0.113604D+02 -0.849534D+00
      4   0.101393D+02  0.217747D+01  0.335042D+01  0.585151D+00  0.520315D+01
      5   0.491078D+01  0.320484D+01  0.564424D+01  0.193206D+02  0.358937D+01
      6   0.112489D+01  0.139795D+01  0.154324D+01 -0.125116D+01  0.163930D+01
               216           217           218           219           220 
      1   0.125388D+02 -0.499977D+01 -0.364064D+01  0.102119D+02 -0.122775D+01
      2  -0.106341D+02 -0.441022D+01  0.104070D+01  0.343073D+01  0.178454D-01
      3  -0.190464D+01  0.940999D+01  0.259994D+01 -0.136426D+02  0.120991D+01
      4   0.269169D+01  0.957219D+01  0.233037D+01 -0.482687D+01  0.227025D+01
      5   0.156805D+02 -0.163702D+02 -0.271340D+00  0.101073D+02  0.201859D+00
      6  -0.130226D+01 -0.362922D+01 -0.635407D+01  0.803589D+01 -0.360121D+01
               221           222           223           224           225 
      1  -0.270954D+01  0.781556D+00  0.677806D+01  0.137140D+01 -0.895824D+01
      2   0.302503D+01 -0.225601D+01  0.244113D+01 -0.526965D+00 -0.763101D+01
      3  -0.315489D+00  0.147446D+01 -0.921919D+01 -0.844439D+00  0.165892D+02
      4   0.274373D+00 -0.121701D+01 -0.416709D+01 -0.146072D+01  0.396355D+01
      5  -0.253046D+01  0.243006D+01  0.983180D+01  0.150556D+01 -0.626635D+01
      6  -0.260168D+01  0.287888D+01  0.405195D+01  0.326049D+01 -0.552878D+01
               226           227           228           229           230 
      1   0.813817D+01  0.195007D+01  0.165770D+01  0.292131D+01 -0.355066D+00
      2  -0.169676D+02 -0.323384D+01 -0.169692D+02 -0.622271D+01 -0.711522D+00
      3   0.882947D+01  0.128377D+01  0.153115D+02  0.330139D+01  0.106659D+01
      4  -0.393017D+01  0.385688D+01 -0.455098D+01  0.252233D+01  0.128692D+00
      5   0.230849D+02  0.979010D+00  0.246841D+02  0.663514D+01  0.498525D+01
      6  -0.203419D+01  0.547110D+01 -0.357575D+01  0.402306D+01  0.168134D+01
               231           232           233           234           235 
      1  -0.168969D+01  0.108793D+01 -0.856827D-01 -0.709696D+01 -0.134148D+00
      2  -0.760996D+01 -0.141537D+02 -0.243847D+01 -0.242211D+02  0.219322D+01
      3   0.929965D+01  0.130657D+02  0.252416D+01  0.313181D+02 -0.205907D+01
      4   0.226029D+01 -0.374264D+01  0.208460D+01 -0.284914D+01 -0.506422D+01
      5   0.769726D+01  0.203108D+02  0.160429D+01  0.266944D+02  0.246626D+01
      6   0.407988D+01 -0.225035D+01  0.468852D+01 -0.440975D+01 -0.371425D+01
               236           237           238           239           240 
      1  -0.922119D+00 -0.205548D+00 -0.941987D-01 -0.180413D+02  0.483507D+01
      2  -0.418695D+01 -0.172361D+01 -0.557515D+01  0.389186D+02 -0.176542D+01
      3   0.510906D+01  0.192915D+01  0.566935D+01 -0.208773D+02 -0.306965D+01
      4   0.925402D+01 -0.183311D+01  0.987504D+01 -0.194628D+02  0.292733D+01
      5  -0.359638D+01  0.473517D+01 -0.412756D+01  0.564232D+01 -0.290109D+01
      6   0.417187D+01 -0.167548D+01  0.533068D+01 -0.259718D+02  0.100733D+02
               241           242           243 
      1  -0.730011D+00  0.766936D+00 -0.949232D+00
      2  -0.183565D+01  0.356664D+01  0.214473D+01
      3   0.256567D+01 -0.433358D+01 -0.119550D+01
      4   0.778757D+00 -0.168950D+01 -0.184732D+01
      5   0.272658D+01 -0.723808D+00  0.101371D+01
      6  -0.766367D+00  0.432650D+01 -0.775856D+00
 Leave Link  716 at Thu Jul 22 20:05:26 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119215D+03  0.956351D+00 -0.591270D-01
      2   0.956351D+00  0.114217D+03  0.117612D+01
      3  -0.591270D-01  0.117612D+01  0.110463D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.619525D-02 -0.438383D+01  0.217791D+01
      2   0.207017D+01 -0.393524D+01  0.211648D+02
      3   0.496931D+01 -0.175949D+02  0.436548D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.238023D+02 -0.128776D+02  0.112459D+02
      2  -0.159761D+02  0.588528D+01 -0.872299D+01
      3  -0.782614D+01  0.699234D+01 -0.252291D+01
      4  -0.174354D+02  0.329799D+02 -0.156301D+02
      5   0.754235D+01 -0.158109D+02  0.431496D+02
      6  -0.963769D+01 -0.143971D+02 -0.496564D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150542D+01  0.145130D+01  0.544992D+01  0.106592D+01  0.254407D+01
      2   0.145130D+01  0.256878D+01  0.251338D+00  0.254407D+01 -0.598285D+01
      3   0.544992D+01  0.251338D+00  0.280331D+01  0.120880D+00 -0.147548D+01
                 6             7             8             9            10 
      1   0.120880D+00  0.637825D+01  0.532584D+00  0.216785D+01 -0.406193D+01
      2  -0.147548D+01  0.532584D+00 -0.166335D+01  0.373581D+01 -0.213209D+01
      3   0.309234D+01  0.216785D+01  0.373581D+01 -0.103543D+01 -0.425066D+01
                11            12            13            14            15 
      1  -0.213209D+01 -0.425066D+01 -0.230160D+01  0.545251D+00  0.204468D+01
      2   0.806122D+00  0.201350D+01  0.545251D+00  0.398659D+00  0.285971D+01
      3   0.201350D+01 -0.821997D+00  0.204468D+01  0.285971D+01 -0.370152D+01
                16            17            18            19            20 
      1  -0.402485D+01  0.205630D+01 -0.212822D+01  0.220524D+01 -0.370597D+00
      2   0.205630D+01  0.249191D+01 -0.290560D+01 -0.370597D+00 -0.125186D+01
      3  -0.212822D+01 -0.290560D+01 -0.125237D+01  0.395277D+01 -0.266781D+01
                21            22            23            24            25 
      1   0.395277D+01  0.284881D+00 -0.348129D+00 -0.360511D+01  0.266118D+01
      2  -0.266781D+01 -0.348129D+00  0.521237D+00 -0.259980D+01 -0.236298D+01
      3  -0.602016D+00 -0.360511D+01 -0.259980D+01  0.228510D+01 -0.842478D-01
                26            27            28            29            30 
      1  -0.236298D+01 -0.842478D-01 -0.373986D+01 -0.228172D+01  0.226736D+01
      2  -0.309393D+01  0.166393D+01 -0.228172D+01  0.382813D+01  0.983325D+00
      3   0.166393D+01  0.199454D+01  0.226736D+01  0.983325D+00 -0.254811D+00
                31            32            33            34            35 
      1  -0.971690D+00  0.302210D+01  0.102830D+01  0.205357D+01  0.109506D+01
      2   0.302210D+01 -0.324979D+01  0.188781D+01  0.109506D+01  0.173035D+01
      3   0.102830D+01  0.188781D+01  0.179061D+01  0.224087D-01  0.168885D+01
                36            37            38            39            40 
      1   0.224087D-01  0.113858D+01 -0.975449D+00 -0.383040D+01 -0.855781D-02
      2   0.168885D+01 -0.975449D+00 -0.324109D+01 -0.154921D+01 -0.404308D+01
      3  -0.273693D+01 -0.383040D+01 -0.154921D+01 -0.164878D+01 -0.161998D+01
                41            42            43            44            45 
      1  -0.404308D+01 -0.161998D+01 -0.321850D+01 -0.151359D+01 -0.174407D+01
      2   0.484234D+01 -0.131464D+01 -0.151359D+01 -0.284973D+00 -0.336315D+01
      3  -0.131464D+01 -0.270569D+01 -0.174407D+01 -0.336315D+01  0.202827D+01
                46            47            48            49            50 
      1   0.720155D+01  0.305004D+01  0.180807D+00  0.256534D+01 -0.951600D+00
      2   0.305004D+01 -0.303730D+01 -0.274674D+01 -0.951600D+00 -0.716363D+00
      3   0.180807D+00 -0.274674D+01 -0.168613D+01 -0.149476D+01 -0.972204D+00
                51            52            53            54            55 
      1  -0.149476D+01  0.216822D+00 -0.122721D+01  0.181404D+00 -0.157133D+01
      2  -0.972204D+00 -0.122721D+01 -0.772947D+00  0.433774D+00 -0.888836D+00
      3  -0.533096D-01  0.181404D+00  0.433774D+00  0.142268D+01  0.146519D+01
                56            57            58            59            60 
      1  -0.888836D+00  0.146519D+01 -0.136797D+01  0.343087D+01  0.871038D+00
      2   0.462608D+01  0.126670D+01  0.343087D+01 -0.278657D+01  0.157943D+01
      3   0.126670D+01  0.136010D+01  0.871038D+00  0.157943D+01  0.214309D+01
                61            62            63            64            65 
      1   0.484860D+00 -0.422411D+00  0.915633D+00  0.147375D+01  0.199820D+01
      2  -0.422411D+00  0.192727D+01  0.870853D+00  0.199820D+01 -0.316762D+00
      3   0.915633D+00  0.870853D+00 -0.542502D+01  0.464199D+01 -0.122489D+01
                66            67            68            69            70 
      1   0.464199D+01  0.149135D+01 -0.620988D+00 -0.127085D+01  0.395836D+01
      2  -0.122489D+01 -0.620988D+00 -0.337875D+00 -0.293602D+01 -0.137072D+01
      3   0.951233D+00 -0.127085D+01 -0.293602D+01  0.243076D+01  0.900455D+00
                71            72            73            74            75 
      1  -0.137072D+01  0.900455D+00 -0.159107D+02 -0.308599D+01  0.990050D+00
      2  -0.297456D+01  0.297086D+01 -0.308599D+01 -0.107317D+01  0.943998D+00
      3   0.297086D+01  0.748934D+00  0.990050D+00  0.943998D+00 -0.886542D+00
                76            77            78            79            80 
      1  -0.315254D+01 -0.347364D+01  0.419821D+00  0.403105D+00  0.172933D+00
      2  -0.347364D+01 -0.215653D+01  0.554178D+00  0.172933D+00  0.123071D+00
      3   0.419821D+00  0.554178D+00 -0.333119D+00 -0.301049D+01 -0.879176D+00
                81            82            83            84            85 
      1  -0.301049D+01 -0.520500D+00 -0.174360D+01 -0.421801D+01 -0.212906D+01
      2  -0.879176D+00 -0.174360D+01 -0.141804D+01 -0.206463D+00 -0.209683D+01
      3   0.418632D-01 -0.421801D+01 -0.206463D+00 -0.187084D+01 -0.416162D+00
                86            87            88            89            90 
      1  -0.209683D+01 -0.416162D+00 -0.490169D+01 -0.393653D+00 -0.221931D+01
      2   0.549260D+01  0.174312D+01 -0.393653D+00  0.167978D+01 -0.267763D+01
      3   0.174312D+01 -0.270045D+01 -0.221931D+01 -0.267763D+01  0.219991D+01
                91            92            93            94            95 
      1   0.176453D+01 -0.601233D+00 -0.466154D+01 -0.803531D+00 -0.174040D+01
      2  -0.601233D+00 -0.160327D+01 -0.609087D+00 -0.174040D+01  0.541841D+01
      3  -0.466154D+01 -0.609087D+00 -0.206633D+01 -0.891644D+00  0.128397D+01
                96            97            98            99           100 
      1  -0.891644D+00 -0.438617D+01 -0.809355D+00 -0.179123D+01  0.221681D+01
      2   0.128397D+01 -0.809355D+00  0.196861D+01 -0.285335D+01 -0.341275D+00
      3  -0.334051D+01 -0.179123D+01 -0.285335D+01 -0.283030D+00 -0.232680D+01
               101           102           103           104           105 
      1  -0.341275D+00 -0.232680D+01 -0.808939D+00  0.698706D+00  0.116299D+01
      2   0.112450D+01  0.675597D+00  0.698706D+00 -0.111153D+01 -0.977523D+00
      3   0.675597D+00  0.303200D+01  0.116299D+01 -0.977523D+00 -0.234106D+01
               106           107           108           109           110 
      1  -0.175106D+01  0.498394D+00  0.205808D+01 -0.458427D+01  0.102337D+01
      2   0.498394D+00 -0.815152D+00 -0.107961D+01  0.102337D+01 -0.136541D+01
      3   0.205808D+01 -0.107961D+01 -0.640407D+01 -0.344998D+01  0.128544D+01
               111           112           113           114           115 
      1  -0.344998D+01  0.889151D+00 -0.103195D+01  0.869702D+00 -0.204387D+01
      2   0.128544D+01 -0.103195D+01  0.101998D+01 -0.933793D+00  0.777812D+00
      3  -0.353888D+01  0.869702D+00 -0.933793D+00  0.802292D+00 -0.219734D+01
               116           117           118           119           120 
      1   0.777812D+00 -0.219734D+01 -0.103117D+01  0.209723D+01 -0.629541D+00
      2  -0.538099D+00  0.734023D+00  0.209723D+01 -0.365634D+01  0.643720D+00
      3   0.734023D+00 -0.393456D+01 -0.629541D+00  0.643720D+00 -0.867302D+00
               121           122           123           124           125 
      1   0.138798D+01 -0.191207D+01  0.242307D+00 -0.347051D+00  0.775126D-01
      2  -0.191207D+01  0.902647D+01 -0.173246D+01  0.775126D-01 -0.966057D+00
      3   0.242307D+00 -0.173246D+01  0.122503D+01 -0.484339D+00  0.121042D+01
               126           127           128           129           130 
      1  -0.484339D+00  0.655723D+01  0.277449D+01 -0.214973D+01  0.155663D+01
      2   0.121042D+01  0.277449D+01  0.223228D+01 -0.116343D+01  0.148934D+01
      3  -0.375188D+00 -0.214973D+01 -0.116343D+01  0.189268D+01 -0.722988D+00
               131           132           133           134           135 
      1   0.148934D+01 -0.722988D+00 -0.182677D+01 -0.920533D+00  0.159949D+01
      2   0.208629D+01 -0.956658D+00 -0.920533D+00 -0.107705D+01  0.743713D+00
      3  -0.956658D+00  0.381643D+00  0.159949D+01  0.743713D+00 -0.133617D+01
               136           137           138           139           140 
      1  -0.252384D+00  0.162896D+00  0.131743D+01 -0.239871D+00 -0.519513D+00
      2   0.162896D+00 -0.665729D+00 -0.358886D+00 -0.519513D+00  0.344582D+00
      3   0.131743D+01 -0.358886D+00 -0.132379D+01  0.100290D+00  0.903473D+00
               141           142           143           144           145 
      1   0.100290D+00  0.156993D+01 -0.163779D+00 -0.146088D+01 -0.277864D+01
      2   0.903473D+00 -0.163779D+00  0.128125D+01  0.952990D+00  0.272455D+01
      3  -0.791123D+00 -0.146088D+01  0.952990D+00  0.919326D+01  0.168663D+00
               146           147           148           149           150 
      1   0.272455D+01  0.168663D+00  0.271540D+01 -0.309281D+01 -0.463226D+00
      2  -0.353191D+01 -0.675065D+00 -0.309281D+01  0.734011D+01  0.445963D+00
      3  -0.675065D+00 -0.747425D+00 -0.463226D+00  0.445963D+00  0.943417D+00
               151           152           153           154           155 
      1  -0.741977D+00  0.443554D+00 -0.506967D+00  0.375825D+01  0.236374D+01
      2   0.443554D+00 -0.103432D+01  0.987167D+00  0.236374D+01  0.257925D+01
      3  -0.506967D+00  0.987167D+00  0.592277D+00  0.256816D+01  0.142581D+01
               156           157           158           159           160 
      1   0.256816D+01  0.143487D+01  0.224930D+01  0.935692D+00  0.226037D+01
      2   0.142581D+01  0.224930D+01  0.310722D+01  0.198561D+01  0.132521D+01
      3   0.226761D+01  0.935692D+00  0.198561D+01  0.183932D+01  0.224963D+01
               161           162           163           164           165 
      1   0.132521D+01  0.224963D+01 -0.497246D+01 -0.173742D+01 -0.325546D+01
      2   0.208007D+01  0.251044D+01 -0.173742D+01 -0.201019D+01 -0.114364D+01
      3   0.251044D+01  0.363366D+01 -0.325546D+01 -0.114364D+01 -0.299294D+01
               166           167           168           169           170 
      1  -0.562879D+00 -0.105987D+01 -0.220918D+00 -0.285314D+01 -0.787348D+00
      2  -0.105987D+01 -0.430363D+00 -0.499952D+00 -0.787348D+00 -0.853599D+00
      3  -0.220918D+00 -0.499952D+00 -0.409133D+00 -0.253314D+01 -0.150778D+01
               171           172           173           174           175 
      1  -0.253314D+01 -0.761694D+00 -0.120422D+01  0.764499D-01 -0.912289D+00
      2  -0.150778D+01 -0.120422D+01 -0.976014D+00  0.383751D+00 -0.900560D+00
      3  -0.346664D+01  0.764499D-01  0.383751D+00 -0.488943D+00  0.308703D+00
               176           177           178           179           180 
      1  -0.900560D+00  0.308703D+00  0.548184D+00  0.777571D+00 -0.399775D+00
      2  -0.555234D+01  0.214758D+01  0.777571D+00  0.398301D+01 -0.204050D+01
      3   0.214758D+01 -0.168527D+01 -0.399775D+00 -0.204050D+01  0.268773D+01
               181           182           183           184           185 
      1   0.293904D+01 -0.162245D+01 -0.218918D+01 -0.101355D+01  0.134768D+01
      2  -0.162245D+01  0.253715D+01  0.157384D+01  0.134768D+01 -0.201236D+01
      3  -0.218918D+01  0.157384D+01  0.221983D+01  0.826106D+00 -0.102918D+01
               186           187           188           189           190 
      1   0.826106D+00 -0.202395D+01  0.945570D+00  0.143569D+01  0.105942D+01
      2  -0.102918D+01  0.945570D+00 -0.161199D+01 -0.213971D+01  0.802081D+00
      3  -0.126821D+01  0.143569D+01 -0.213971D+01 -0.331957D+01 -0.996011D+00
               191           192           193           194           195 
      1   0.802081D+00 -0.996011D+00  0.147789D+01  0.453673D+00 -0.436193D+00
      2   0.322075D+00 -0.310896D+00  0.453673D+00  0.912439D+00 -0.139467D+01
      3  -0.310896D+00  0.132954D+01 -0.436193D+00 -0.139467D+01  0.174805D+01
               196           197           198           199           200 
      1  -0.191057D+01 -0.144102D+00  0.188001D+01  0.135417D+01 -0.131183D+01
      2  -0.144102D+00 -0.155230D+01  0.156573D+01 -0.131183D+01  0.120336D+01
      3   0.188001D+01  0.156573D+01 -0.494695D+01  0.974112D-01  0.291177D+00
               201           202           203           204           205 
      1   0.974112D-01 -0.271704D+01  0.277751D+01  0.567166D+00  0.185084D+00
      2   0.291177D+00  0.277751D+01 -0.741810D+01 -0.117471D+01  0.450983D+00
      3   0.344114D+00  0.567166D+00 -0.117471D+01 -0.104058D+01  0.754490D+00
               206           207           208           209           210 
      1   0.450983D+00  0.754490D+00  0.733880D+01  0.895738D+00  0.262229D+01
      2  -0.967383D+00 -0.880021D+00  0.895738D+00  0.102001D+01  0.235333D+00
      3  -0.880021D+00 -0.714227D+00  0.262229D+01  0.235333D+00  0.170016D+01
               211           212           213           214           215 
      1   0.223930D+01  0.143425D+01  0.640286D+00  0.472031D+01  0.308122D+00
      2   0.143425D+01  0.220706D+00  0.416116D+00  0.308122D+00  0.696096D+00
      3   0.640286D+00  0.416116D+00  0.897538D+00  0.252831D+01  0.630593D+00
               216           217           218           219           220 
      1   0.252831D+01 -0.452794D+01 -0.222334D-01  0.218427D+01  0.121427D+00
      2   0.630593D+00 -0.222334D-01 -0.116683D+01  0.840673D+00 -0.701655D+00
      3   0.221588D+01  0.218427D+01  0.840673D+00 -0.266070D+01  0.360203D+00
               221           222           223           224           225 
      1  -0.701655D+00  0.360203D+00  0.185761D+01  0.307454D+00 -0.159721D+01
      2  -0.568324D+00  0.384809D+00  0.307454D+00  0.339362D+00 -0.151188D+00
      3   0.384809D+00  0.232056D+00 -0.159721D+01 -0.151188D+00  0.276901D+01
               226           227           228           229           230 
      1   0.353378D+01  0.186466D+00  0.334907D+01  0.107850D+01  0.866167D+00
      2   0.186466D+00  0.109427D+01 -0.214977D-01  0.866167D+00  0.130163D+00
      3   0.334907D+01 -0.214977D-01  0.390032D+01  0.889010D+00  0.690681D+00
               231           232           233           234           235 
      1   0.889010D+00  0.260509D+01  0.130261D+00  0.306905D+01  0.666342D+00
      2   0.690681D+00  0.130261D+00  0.579478D+00  0.402482D+00 -0.121115D+01
      3   0.195302D+01  0.306905D+01  0.402482D+00  0.587113D+01  0.625487D+00
               236           237           238           239           240 
      1  -0.121115D+01  0.625487D+00 -0.131912D+01  0.163419D+01 -0.245330D+00
      2   0.137190D+01 -0.136583D+00  0.163419D+01 -0.853820D+01  0.111464D+01
      3  -0.136583D+00  0.656501D+00 -0.245330D+00  0.111464D+01 -0.139429D+01
               241           242           243 
      1   0.126873D+00  0.216358D+00  0.394720D+00
      2   0.216358D+00 -0.674554D+00 -0.623922D+00
      3   0.394720D+00 -0.623922D+00 -0.168996D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.153013D+01  0.107954D+01  0.201847D+01  0.275830D+01 -0.609240D+01
      2   0.882744D+01 -0.314558D+00  0.425802D+01  0.166586D+01 -0.431998D+01
      3   0.455533D+00 -0.704435D+01 -0.188669D+01  0.119533D+01  0.748430D+01
                 6             7             8             9            10 
      1  -0.398005D+01  0.458032D+01  0.408581D+01  0.167096D+01 -0.503822D+01
      2   0.303431D+01 -0.358467D+01  0.338356D+01 -0.279248D+01 -0.191326D+01
      3   0.257153D+01 -0.251154D+01  0.292657D+01 -0.379381D+01 -0.205828D+01
                11            12            13            14            15 
      1  -0.268708D+01  0.876890D+00  0.164604D+01  0.500721D+01 -0.119907D+02
      2  -0.346779D+01  0.214322D+01 -0.309616D+01 -0.352412D+00  0.143409D+01
      3  -0.338554D+01  0.442562D+01  0.726331D+01  0.387899D+00  0.133612D+01
                16            17            18            19            20 
      1  -0.604442D+01 -0.166481D+00 -0.192076D+01  0.479135D+01  0.441130D+01
      2  -0.678171D+01  0.382312D+01 -0.594898D+01  0.505048D+01 -0.124310D+01
      3   0.419112D+01  0.254007D+01 -0.138672D+00 -0.262928D+00 -0.443011D+01
                21            22            23            24            25 
      1   0.445561D+01 -0.633228D+00  0.183402D+01  0.594192D+01  0.521830D+01
      2   0.113638D+02 -0.126967D+01 -0.688209D+00 -0.774394D+01  0.329050D+01
      3   0.316554D+00  0.760121D+00 -0.276990D+00 -0.182880D+01  0.754015D+00
                26            27            28            29            30 
      1   0.107702D+02 -0.217217D+01 -0.493242D+01 -0.685051D+01 -0.122205D+01
      2  -0.775102D+01  0.719219D+00 -0.212087D+01 -0.203586D+01  0.527933D+01
      3  -0.201668D+01  0.465266D+00 -0.861702D+01 -0.129392D+02  0.589604D+01
                31            32            33            34            35 
      1  -0.628425D+01 -0.235712D+01 -0.114060D+02 -0.820262D+00 -0.537794D+01
      2  -0.512543D+00  0.494930D+01  0.318046D+01  0.322407D+00  0.238481D+01
      3  -0.338948D+01  0.120562D+02  0.829150D+00  0.543047D+01  0.166553D+01
                36            37            38            39            40 
      1   0.675100D+01  0.380715D+01  0.870676D+00  0.425973D+00  0.726736D-01
      2  -0.428050D+01 -0.563767D+01 -0.649049D+00  0.497920D+01 -0.107650D+01
      3  -0.153358D+01  0.529377D+01 -0.313991D+01 -0.428547D+01  0.596271D+01
                41            42            43            44            45 
      1   0.540339D+01  0.956606D+00 -0.382319D+00  0.910764D+01 -0.772889D+01
      2   0.219768D+01 -0.134425D+01 -0.275470D+01 -0.886521D+00  0.320365D+01
      3  -0.990307D+01 -0.173551D+01 -0.349435D+01 -0.195412D+01 -0.230642D+00
                46            47            48            49            50 
      1   0.325958D+01  0.167972D+01  0.483309D+01  0.449280D+01 -0.141557D+02
      2  -0.339503D+01  0.710906D+01 -0.193510D+01  0.478398D+01 -0.316161D+01
      3   0.591172D+00  0.130786D+01 -0.689015D+01  0.644172D+01  0.207056D+01
                51            52            53            54            55 
      1  -0.176230D+01  0.913754D+00  0.107749D+02  0.150483D+02 -0.498681D+01
      2  -0.474300D+00 -0.104019D+02  0.972051D+00  0.603506D+01  0.238219D+01
      3  -0.268038D+01 -0.589268D+01 -0.286719D+01  0.316741D+00 -0.504152D+01
                56            57            58            59            60 
      1   0.623075D+01 -0.233269D+01  0.426669D+01 -0.516552D+01 -0.616461D+01
      2   0.797556D+00 -0.368469D+01  0.709854D+00 -0.692841D+01 -0.244103D+01
      3   0.326159D+01  0.515680D+01  0.677110D+01  0.189828D+01  0.167628D+01
                61            62            63            64            65 
      1  -0.711549D-01  0.505155D+01  0.113003D+02  0.651384D+01 -0.161814D+01
      2  -0.764875D+01 -0.659558D-01  0.767289D+01 -0.202744D+01  0.489236D+01
      3   0.345142D+01  0.424373D+00  0.296068D+01 -0.202716D+01 -0.969983D+01
                66            67            68            69            70 
      1   0.356917D+01 -0.284254D+01 -0.679208D+01  0.760855D+01  0.310437D+01
      2   0.813920D+01  0.297513D+01  0.209882D+01 -0.390027D+01  0.257950D+01
      3  -0.130632D+02 -0.203969D+01  0.164009D+01  0.875233D+00 -0.108807D+02
                71            72            73            74            75 
      1   0.151277D+02 -0.227879D+01 -0.688245D-01 -0.494406D+00 -0.504007D+01
      2  -0.531720D+01  0.722153D+00  0.383545D+01  0.262059D+00  0.123979D+02
      3  -0.395696D-01  0.765223D-01 -0.354889D+01 -0.136734D+02  0.409355D+00
                76            77            78            79            80 
      1  -0.311483D+01  0.277381D+01 -0.154757D+01  0.128493D+01 -0.157199D+01
      2  -0.722406D+00  0.316673D+01  0.331963D+01  0.444460D+01  0.588165D+00
      3  -0.354400D+01 -0.783037D+01 -0.711212D-01  0.440066D-01  0.486745D+00
                81            82            83            84            85 
      1  -0.567738D+01 -0.217375D+01  0.823909D-01 -0.183336D+01  0.160822D+00
      2  -0.165628D+01 -0.118834D+02 -0.605672D+00 -0.492832D+01 -0.188532D+01
      3  -0.272366D+01  0.574798D+01  0.386472D+01  0.302374D+01  0.121081D+02
                86            87            88            89            90 
      1   0.562656D+00 -0.481937D+01 -0.387660D+01 -0.280296D+00  0.288248D+01
      2   0.569561D+01 -0.807067D+01 -0.129077D+02 -0.721085D+01  0.807801D+01
      3  -0.155663D+02 -0.611373D+01  0.422276D+01 -0.548625D+01  0.976880D+01
                91            92            93            94            95 
      1  -0.867642D+01 -0.452896D+01 -0.403484D+01 -0.594514D+01  0.165029D+02
      2  -0.100894D+02 -0.587126D+00  0.129873D+02 -0.254359D-02  0.496191D+01
      3  -0.267540D+01 -0.272281D+00  0.878717D+01  0.463308D+01 -0.376071D+01
                96            97            98            99           100 
      1  -0.572345D+01 -0.399255D+01  0.281905D+01 -0.896916D+01  0.717040D+00
      2  -0.135410D+01  0.611504D+01 -0.164433D+01  0.312177D+01  0.633442D+01
      3  -0.168865D+00  0.702969D+01 -0.128847D+01  0.512097D+01  0.108603D+01
               101           102           103           104           105 
      1  -0.446054D+01 -0.224165D+01 -0.585094D+00  0.404837D+01  0.128945D+00
      2  -0.145703D+01 -0.354012D+01 -0.224725D+01  0.134280D+01  0.149970D+01
      3  -0.139373D+01 -0.998141D+00  0.735078D+00  0.294003D+00  0.442326D+00
               106           107           108           109           110 
      1  -0.201522D+01  0.489757D+01  0.394095D+01 -0.320423D+00  0.373692D+01
      2  -0.572397D+01  0.147987D+01  0.340364D+01 -0.112704D+02  0.167027D+01
      3  -0.437669D+00  0.135335D+01  0.824903D+00 -0.329011D+01 -0.180597D+01
               111           112           113           114           115 
      1  -0.318697D+00  0.138934D+01 -0.169543D+01 -0.105760D+00  0.274438D+00
      2  -0.451890D+01  0.232651D+01 -0.200248D+01  0.196160D+01 -0.529317D+01
      3  -0.176508D+01  0.140790D+01 -0.113220D-01  0.512246D+00 -0.155298D+01
               116           117           118           119           120 
      1   0.162997D+01  0.559051D+00 -0.618706D+00  0.312274D+01  0.285861D+01
      2   0.156574D+01 -0.377924D+01 -0.212893D+01  0.246776D+01  0.271362D-01
      3  -0.446821D+00 -0.148378D+01 -0.510111D+01  0.647580D+01 -0.172948D+01
               121           122           123           124           125 
      1   0.199554D+01 -0.590096D+01 -0.402249D+01  0.126292D+01 -0.301146D+00
      2   0.205842D+01 -0.358284D+01  0.446687D+00 -0.140537D+01  0.102384D+01
      3   0.734652D+01 -0.103874D+02  0.153464D+01 -0.918043D+00  0.906890D+00
               126           127           128           129           130 
      1  -0.862564D+00  0.261730D+01 -0.598866D+00 -0.450153D+01  0.195021D+00
      2  -0.394797D+00  0.636074D+01  0.168236D+01  0.152945D+01  0.104768D+01
      3  -0.218524D+01  0.148416D+02  0.181746D+01 -0.381521D+01  0.302103D+01
               131           132           133           134           135 
      1   0.412248D+00 -0.656161D+00 -0.297842D+01  0.124676D+01  0.187303D+01
      2   0.615462D+00  0.129381D+00 -0.192668D+01 -0.384879D+00 -0.165942D+00
      3   0.107212D+01 -0.101240D+01 -0.396951D+01 -0.875194D+00  0.327371D+01
               136           137           138           139           140 
      1  -0.133796D+01  0.191672D+00  0.262015D+01  0.334441D+00 -0.125705D+01
      2  -0.108214D+01  0.510670D+00  0.103902D+01  0.671429D+00  0.909173D-02
      3   0.228429D+00 -0.201658D+01  0.115702D+01 -0.213242D+00 -0.139235D+01
               141           142           143           144           145 
      1   0.362450D+01  0.274842D+01  0.141493D+01 -0.175344D+02  0.342614D+01
      2   0.195787D+01 -0.280698D+01 -0.104381D+01 -0.100807D+02  0.356670D+01
      3   0.104217D+01  0.239139D+01  0.170995D+01 -0.257335D+01 -0.143843D+01
               146           147           148           149           150 
      1  -0.644045D+01  0.100245D+00 -0.440738D+01  0.112143D+02 -0.217983D+01
      2  -0.364308D+01  0.207051D+01 -0.386385D+01  0.553668D+01 -0.903295D+00
      3  -0.169021D+01 -0.873031D+00  0.344564D+01  0.437958D+01 -0.576954D+00
               151           152           153           154           155 
      1   0.996611D+00 -0.328572D+01  0.788751D+00 -0.217601D+01  0.116568D+01
      2   0.859352D+00 -0.177724D+01  0.768929D+00 -0.214402D+01 -0.809186D+00
      3  -0.124936D+01 -0.123912D+01  0.252073D+00  0.526538D+01 -0.309631D+00
               156           157           158           159           160 
      1  -0.327605D+01 -0.754322D-01 -0.159466D+00 -0.337054D+01 -0.220152D+01
      2   0.138336D+01 -0.136291D+01 -0.375154D+00  0.122918D+01 -0.180069D+01
      3   0.305895D+01  0.249718D+01  0.752126D+00  0.305992D+00  0.356488D+01
               161           162           163           164           165 
      1  -0.442852D-01 -0.428024D+01 -0.420804D+01  0.142950D+01 -0.534288D+01
      2   0.113432D+01  0.216141D+01 -0.556083D+01 -0.107767D+01  0.484466D-01
      3  -0.596304D+00  0.156116D+01  0.111861D+02 -0.140538D+00  0.649770D+01
               166           167           168           169           170 
      1   0.337879D+00 -0.557112D+00 -0.124339D+01 -0.449916D+01 -0.279111D+00
      2  -0.535863D+00 -0.122303D+01 -0.101074D+00 -0.340815D+01 -0.175818D+00
      3   0.126518D+01  0.217453D+01  0.649980D+00  0.652089D+01  0.491807D+00
               171           172           173           174           175 
      1  -0.533356D+01  0.162170D+01  0.178614D+01 -0.149033D+01  0.182437D+01
      2  -0.236960D+00 -0.729496D+00 -0.170894D+01  0.128863D+01 -0.607533D+00
      3   0.498888D+01  0.105884D+01  0.948850D+00 -0.285966D+00  0.337093D+01
               176           177           178           179           180 
      1   0.114852D+02 -0.940819D+01 -0.125832D+01 -0.850702D+01  0.111130D+02
      2  -0.288239D+01  0.206950D+01 -0.396755D+00  0.254109D+01 -0.332210D+01
      3  -0.184441D+01  0.998171D+00 -0.219328D+01  0.156343D+01 -0.806043D+00
               181           182           183           184           185 
      1  -0.272393D+01 -0.151779D+01  0.357888D+01  0.147118D+00  0.486176D+00
      2   0.698273D+01 -0.301359D+01 -0.286074D+01 -0.226720D+01  0.227466D+01
      3  -0.953698D+01  0.349563D+01  0.595069D+01  0.453226D+01 -0.347181D+01
               186           187           188           189           190 
      1  -0.269010D+01  0.203033D+01 -0.663964D+00 -0.425532D+01 -0.965596D+00
      2   0.144211D+01 -0.539124D+01  0.232923D+01  0.300467D+01 -0.206480D+01
      3  -0.247726D+01  0.629994D+01 -0.213875D+01 -0.446309D+01 -0.237318D+01
               191           192           193           194           195 
      1  -0.626152D+00  0.738734D+00 -0.143351D+00 -0.210923D+01  0.122434D+01
      2  -0.572232D+00  0.386317D+01  0.308006D+00 -0.445072D+01  0.616426D+01
      3  -0.196215D+01  0.164662D+01 -0.419813D+00 -0.423264D+01  0.493302D+01
               196           197           198           199           200 
      1   0.831884D+00  0.422059D+01 -0.367463D+01  0.507209D+00 -0.365099D+00
      2   0.121714D+01  0.571796D+01 -0.154466D+02  0.622119D+00  0.463425D+00
      3   0.686826D+00  0.614776D+01 -0.620203D+01  0.258935D+01 -0.344821D+01
               201           202           203           204           205 
      1   0.432629D+00 -0.116161D+00  0.167380D+01 -0.316245D+01  0.347497D+00
      2   0.166013D+01  0.748460D+00 -0.325595D+01 -0.380363D+01  0.104361D+01
      3  -0.994562D+00 -0.243463D+01  0.206376D+02  0.315229D+01 -0.122637D+01
               206           207           208           209           210 
      1   0.611667D+00 -0.501558D+00  0.175887D+01  0.825822D+00  0.832489D+00
      2  -0.205546D+01 -0.204643D+01  0.815357D+01  0.125903D+01  0.799170D+01
      3   0.300172D+01  0.185707D+01 -0.683730D+01 -0.557170D+01 -0.254963D+01
               211           212           213           214           215 
      1   0.461198D+00  0.718733D+00 -0.320418D+00  0.190718D+01  0.162700D+01
      2   0.184632D+01  0.122158D+01  0.347590D+01  0.590638D+01  0.205798D+01
      3  -0.375668D+01 -0.199491D+01 -0.133277D+01 -0.353244D+01 -0.345981D+01
               216           217           218           219           220 
      1   0.886252D+00  0.420093D+01 -0.316412D+01 -0.215201D+01 -0.173121D+01
      2   0.775518D+01  0.152363D+02 -0.444519D+00 -0.492873D+01 -0.371344D+00
      3  -0.346040D+01  0.807021D+01 -0.158766D+01 -0.339516D+01  0.812075D+00
               221           222           223           224           225 
      1  -0.171959D+00  0.373402D+00 -0.217609D+01  0.184325D+01  0.297134D+01
      2   0.212389D+01 -0.360822D+00 -0.730824D+01 -0.441927D+00  0.478767D+01
      3   0.120694D+01 -0.731940D+00 -0.324509D+01  0.220526D+00  0.233596D+01
               226           227           228           229           230 
      1   0.499998D+01  0.386330D+01  0.498893D+01  0.274713D+01  0.178836D+01
      2  -0.505093D+01 -0.907567D+00 -0.122051D+01 -0.200754D+01 -0.979505D+00
      3  -0.410314D+01 -0.310145D+01 -0.386962D+01 -0.121530D+01 -0.157918D+01
               231           232           233           234           235 
      1   0.275118D+01  0.435357D+01  0.394783D+01  0.826432D+01 -0.152410D+01
      2   0.670979D+00 -0.530754D+01  0.323814D-01 -0.173191D-01 -0.282626D+00
      3  -0.149815D+01 -0.352700D+01 -0.176758D+01 -0.425213D+01  0.197253D-01
               236           237           238           239           240 
      1   0.287596D+01  0.145628D+01  0.307840D+01 -0.180820D+02 -0.330198D+01
      2   0.200738D+01  0.413575D+00  0.268696D+01 -0.199152D+01 -0.151829D+01
      3  -0.683020D+00 -0.511221D+00  0.305398D+01  0.667538D+01 -0.654977D+00
               241           242           243 
      1   0.938865D+00 -0.157499D+01 -0.227399D+01
      2  -0.540743D+00 -0.757327D+00 -0.124220D+01
      3   0.435357D-01  0.737131D+00  0.436881D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.868838D+01  0.336865D+01  0.120515D+02  0.391066D+01  0.782982D+01
      2  -0.104672D+01 -0.225377D+01 -0.823249D+01 -0.317222D+01 -0.256251D+01
      3   0.973510D+01 -0.111487D+01 -0.381905D+01 -0.738438D+00 -0.526731D+01
      4  -0.467753D+00  0.336928D+01 -0.473407D+01  0.490082D+01 -0.114554D+02
      5   0.102492D+02 -0.842065D+00  0.674544D+01  0.612135D+00  0.421541D+00
      6  -0.707176D+01  0.221743D+01 -0.194373D+01  0.243843D+01 -0.488537D+01
                 6             7             8             9            10 
      1  -0.394161D+01  0.158321D+02 -0.282145D+01  0.897434D+01 -0.622153D+00
      2  -0.297053D+01 -0.885626D+01 -0.136953D+01 -0.424162D+01  0.543796D+00
      3   0.691214D+01 -0.697586D+01  0.419098D+01 -0.473272D+01  0.783568D-01
      4  -0.915024D+00 -0.446232D+01 -0.670211D+00  0.167530D+01  0.597220D+01
      5   0.574047D+01  0.748195D+01  0.512573D+01 -0.204029D+01 -0.807721D+00
      6  -0.371281D+01 -0.152328D+01 -0.434489D+01  0.283747D+01  0.720582D+01
                11            12            13            14            15 
      1   0.528346D+01  0.830442D+00  0.660747D+01  0.466731D+00 -0.108269D+02
      2  -0.178162D+01  0.307503D+01 -0.192192D+00  0.581704D+01 -0.340572D+01
      3  -0.350185D+01 -0.390547D+01 -0.641528D+01 -0.628378D+01  0.142326D+02
      4   0.308427D+01  0.362168D+01  0.217110D+00  0.721247D+00 -0.132345D+01
      5  -0.159108D+01  0.319475D+01 -0.200955D+01 -0.197467D+01 -0.317616D+01
      6  -0.111677D+01  0.552571D+00 -0.372599D+00  0.241301D+01 -0.427747D+01
                16            17            18            19            20 
      1  -0.115022D+02 -0.697711D+01 -0.117546D+01  0.585675D+01 -0.275616D+01
      2   0.392788D+01 -0.322642D+01  0.126420D+01  0.107698D+02 -0.105600D+02
      3   0.757428D+01  0.102035D+02 -0.887417D-01 -0.166266D+02  0.133161D+02
      4   0.555592D+01 -0.381639D+01  0.260420D+01  0.434150D+01 -0.301811D+01
      5   0.183481D+01 -0.350568D+00  0.409304D-01 -0.912056D+01  0.313402D+01
      6   0.184498D+00 -0.613128D+00  0.976480D+01  0.420888D+01 -0.105469D+01
                21            22            23            24            25 
      1  -0.714167D+01 -0.918927D+01 -0.619506D+01  0.124348D+02 -0.121793D+01
      2  -0.409817D+01 -0.758951D+01 -0.609705D+01  0.916454D+00 -0.505856D+01
      3   0.112398D+02  0.167788D+02  0.122921D+02 -0.133512D+02  0.627648D+01
      4   0.310424D+01 -0.255786D+01 -0.307161D+01 -0.191229D+01  0.147271D+01
      5  -0.187156D+02  0.477433D+01  0.250395D+01  0.105601D+02 -0.130141D+02
      6   0.979441D+01 -0.252725D+01 -0.470475D+01  0.695644D+01  0.727609D+01
                26            27            28            29            30 
      1   0.682513D+01  0.201147D+01 -0.494148D+01 -0.148930D+02  0.537258D+01
      2   0.654096D+00  0.100176D+02 -0.529466D+01  0.239141D+02  0.674139D+00
      3  -0.747922D+01 -0.120291D+02  0.102361D+02 -0.902115D+01 -0.604672D+01
      4  -0.183955D+01  0.312688D+01 -0.168728D+02 -0.106632D+02  0.110744D+02
      5   0.743141D+01  0.250712D+01  0.111827D+02  0.710550D+01 -0.337946D+01
      6   0.470987D+01 -0.455033D+01  0.137650D+02 -0.134569D+01 -0.455297D+01
                31            32            33            34            35 
      1  -0.946563D+01  0.150122D+02 -0.308523D+00  0.475470D+01  0.848803D+00
      2   0.164784D+02 -0.211330D+02  0.829584D+01  0.104191D+01  0.777042D+01
      3  -0.701279D+01  0.612074D+01 -0.798731D+01 -0.579661D+01 -0.861923D+01
      4  -0.363293D+01  0.113970D+02  0.176148D+01  0.983980D+01  0.366060D+01
      5   0.308455D+01 -0.345127D+01 -0.767577D-01 -0.380359D+01  0.343536D+00
      6  -0.149344D+01  0.867407D+01  0.109664D+01 -0.293158D+01  0.271096D+01
                36            37            38            39            40 
      1  -0.736449D+01  0.868653D+00  0.461498D+01  0.193693D+00  0.287782D+01
      2   0.640156D+01  0.150791D+01 -0.891177D+01 -0.308361D+01 -0.586156D+01
      3   0.962928D+00 -0.237656D+01  0.429679D+01  0.288991D+01  0.298374D+01
      4   0.301328D+01  0.162475D+01 -0.675360D+01 -0.102883D+02 -0.627914D+01
      5  -0.192985D+01 -0.411011D+01 -0.747655D+01 -0.859067D+01 -0.428289D+01
      6  -0.999163D+01 -0.119707D+02 -0.103693D+02 -0.398315D+01 -0.760917D+01
                41            42            43            44            45 
      1  -0.803992D+01  0.155882D+00 -0.246530D+01 -0.952475D+00  0.290962D+01
      2   0.113089D+02 -0.434693D+00 -0.217738D+00 -0.907949D+00 -0.804539D+01
      3  -0.326897D+01  0.278811D+00  0.268304D+01  0.186042D+01  0.513576D+01
      4  -0.233785D+01 -0.448425D+01 -0.875541D+01 -0.472266D+01 -0.105503D+02
      5  -0.504531D+01 -0.654315D+01 -0.729160D+01 -0.823008D+01 -0.460384D+01
      6   0.103850D+01 -0.837842D+01 -0.578274D+01 -0.110955D+02  0.257695D+01
                46            47            48            49            50 
      1  -0.497269D+02 -0.689947D+01  0.270455D+01 -0.166822D+02  0.638243D+00
      2   0.232368D+02 -0.120718D+01 -0.277300D+01  0.806496D+01 -0.304263D+01
      3   0.264902D+02  0.810665D+01  0.684552D-01  0.861723D+01  0.240438D+01
      4  -0.128153D+02 -0.790567D+01  0.223174D+01 -0.228899D+00 -0.331835D+01
      5   0.504329D+01  0.457832D+01 -0.665574D+01  0.232248D+01  0.967730D+00
      6   0.390335D+00  0.762952D+00 -0.494265D+01  0.328847D+01 -0.455651D+01
                51            52            53            54            55 
      1   0.107371D+02  0.768686D+00  0.937060D+01 -0.878551D+00  0.179038D+01
      2  -0.757633D+00  0.155696D+01 -0.497688D+01 -0.137714D+01 -0.672113D+01
      3  -0.997943D+01 -0.232564D+01 -0.439371D+01  0.225569D+01  0.493076D+01
      4   0.237541D+01 -0.114418D+01  0.384777D+01 -0.233887D+01  0.811411D+00
      5  -0.340148D+01  0.312091D+01 -0.605203D+00  0.648063D-01 -0.297033D+01
      6  -0.277936D+01  0.963001D-01  0.111631D+00 -0.579374D+01  0.407619D+01
                56            57            58            59            60 
      1  -0.766120D+01 -0.675409D+01  0.913695D+00 -0.220101D+01 -0.813588D+01
      2   0.162511D+02  0.195727D+01  0.908712D+01 -0.115144D+02  0.725028D-01
      3  -0.858991D+01  0.479682D+01 -0.100008D+02  0.137154D+02  0.806338D+01
      4  -0.124804D+02  0.690244D+00 -0.855786D+01  0.165329D+02 -0.186531D+01
      5  -0.157281D+01  0.468177D+00 -0.339843D+00  0.263115D+01 -0.858612D+00
      6   0.938783D+01  0.334909D+01  0.366649D+01  0.774736D+00  0.850514D+01
                61            62            63            64            65 
      1   0.181052D+01 -0.306889D+01  0.102151D+02  0.544042D+01 -0.545788D+01
      2  -0.468106D+01  0.755805D+01  0.152422D+02  0.380833D+01  0.250927D+01
      3   0.287054D+01 -0.448916D+01 -0.254573D+02 -0.924876D+01  0.294861D+01
      4   0.368671D+01 -0.393917D+01  0.501362D+01 -0.519619D+01 -0.917408D+01
      5   0.106601D+01  0.152160D+00  0.124717D+02 -0.860936D+01 -0.769558D+01
      6   0.819100D+00  0.552688D+01 -0.856466D+01 -0.204867D+02  0.742008D+01
                66            67            68            69            70 
      1  -0.922209D+01 -0.455938D+01 -0.184195D+01 -0.274550D+01 -0.756426D+01
      2   0.111724D+02  0.888789D+00 -0.397577D+01  0.169376D+02  0.103242D+02
      3  -0.195033D+01  0.367059D+01  0.581773D+01 -0.141921D+02 -0.275997D+01
      4  -0.182035D+02 -0.594816D+01  0.144217D+01  0.841910D+01 -0.157846D+02
      5  -0.170601D+02 -0.374512D+01  0.652693D+01  0.266113D+00 -0.143620D+02
      6  -0.360826D+00  0.682234D+01  0.138789D+02 -0.602953D+01 -0.655930D+00
                71            72            73            74            75 
      1  -0.544208D+01  0.372454D+01  0.102770D+03  0.134820D+02 -0.342849D+01
      2   0.205589D+02 -0.765671D+01 -0.499031D+02 -0.396904D+01  0.259250D+01
      3  -0.151169D+02  0.393217D+01 -0.528670D+02 -0.951298D+01  0.835997D+00
      4   0.938577D+01 -0.453815D+01  0.177524D+02  0.203183D+02 -0.219665D+01
      5  -0.814150D+00 -0.154076D+01 -0.878722D+01 -0.306660D+01  0.179805D+02
      6  -0.101545D+02 -0.644512D+01 -0.493879D+01 -0.281372D+01  0.325912D+01
                76            77            78            79            80 
      1   0.154497D+02  0.134269D+02 -0.276796D+01  0.152248D+01 -0.188041D+01
      2  -0.619243D+01 -0.123539D+01  0.142879D+01  0.187901D+01  0.103332D+01
      3  -0.925728D+01 -0.121915D+02  0.133918D+01 -0.340149D+01  0.847081D+00
      4   0.249052D+02  0.129056D+02 -0.278846D+01 -0.255765D+01 -0.185390D+01
      5  -0.401806D+01 -0.342905D+01  0.451798D+01  0.216315D+02  0.483414D+01
      6  -0.362379D+01 -0.197705D+01  0.536026D+01  0.244388D+01  0.456218D+01
                81            82            83            84            85 
      1   0.109287D+02 -0.364224D+01 -0.113645D+02 -0.237675D+02 -0.159625D+02
      2  -0.101275D+02  0.425634D+01  0.841429D+01  0.125160D+02  0.137333D+02
      3  -0.801211D+00 -0.614094D+00  0.295025D+01  0.112515D+02  0.222919D+01
      4   0.407121D+01 -0.100963D+02 -0.572895D+01  0.124150D+01 -0.971860D+01
      5  -0.445409D+01 -0.233704D+02 -0.933346D+00 -0.103942D+02 -0.373587D+01
      6  -0.930896D+00  0.415313D+01  0.917841D+00  0.891829D+00  0.184578D+01
                86            87            88            89            90 
      1  -0.491736D+00 -0.100004D+01 -0.294689D+02 -0.915419D+00 -0.129604D+02
      2  -0.991876D+01 -0.275389D+01  0.151175D+02 -0.275305D+01  0.107993D+02
      3   0.104105D+02  0.375393D+01  0.143514D+02  0.366847D+01  0.216111D+01
      4   0.264967D+02  0.716083D+01 -0.998227D+00  0.665897D+01 -0.986816D+01
      5   0.742334D+01 -0.124808D+02 -0.143219D+02 -0.116834D+02  0.869405D+01
      6  -0.560722D+01  0.951163D+00  0.543777D+00  0.134497D+01 -0.347878D+00
                91            92            93            94            95 
      1   0.989068D+01 -0.289276D+01 -0.692516D+01 -0.339831D+01  0.372455D+01
      2   0.113243D+02  0.855566D+01  0.132911D+02  0.106978D+02 -0.236728D+02
      3  -0.212149D+02 -0.566290D+01 -0.636591D+01 -0.729953D+01  0.199482D+02
      4  -0.571730D+01 -0.187504D+01  0.640793D+01 -0.231676D+01  0.140342D+02
      5  -0.262877D+01 -0.242269D+01 -0.225254D+02 -0.499948D+01 -0.269290D+01
      6   0.479026D+01 -0.303435D+01 -0.236139D+01 -0.394143D+01  0.118654D+02
                96            97            98            99           100 
      1   0.548138D+01 -0.755870D+01  0.691708D+01 -0.971761D+01 -0.137953D+01
      2   0.731708D+01  0.131083D+02  0.609732D+00  0.140391D+02 -0.931965D+01
      3  -0.127985D+02 -0.554958D+01 -0.752681D+01 -0.432151D+01  0.106992D+02
      4   0.200847D+01  0.574444D+01  0.403252D+01 -0.247249D+01 -0.102465D+01
      5  -0.978629D+01 -0.202819D+02 -0.711394D+01 -0.896825D+01 -0.105012D+02
      6   0.821668D+01 -0.140398D+01  0.968911D+01 -0.994667D+01 -0.646929D-01
               101           102           103           104           105 
      1  -0.163915D+00  0.624390D+01  0.218261D+01 -0.278514D+01 -0.709202D+01
      2   0.375808D+01  0.109821D+02  0.323823D+01 -0.183816D+01 -0.627616D+01
      3  -0.359417D+01 -0.172260D+02 -0.542084D+01  0.462330D+01  0.133682D+02
      4   0.208015D+01 -0.332885D+00  0.191788D+01 -0.988324D+00 -0.124805D+01
      5   0.216594D+01  0.145664D+02  0.247844D+01 -0.391488D+01 -0.428897D+01
      6  -0.433506D+01 -0.976916D+00 -0.263557D+01  0.517459D+01  0.608554D+01
               106           107           108           109           110 
      1   0.399659D+01 -0.254304D+01 -0.169971D+02  0.378562D+01  0.182609D+01
      2   0.770849D+01 -0.364610D+01 -0.219640D+02 -0.120695D+02  0.124931D+01
      3  -0.117051D+02  0.618913D+01  0.389611D+02  0.828392D+01 -0.307540D+01
      4  -0.279864D+00 -0.113285D+01 -0.975413D+00 -0.949083D+01  0.559130D+01
      5   0.111654D+02 -0.327759D+01 -0.141010D+02  0.225768D+02 -0.503519D+01
      6  -0.103632D+01  0.530640D+01  0.144842D+01 -0.753022D+01  0.733177D+01
               111           112           113           114           115 
      1  -0.242124D+01  0.131384D+01 -0.166722D+01  0.206755D+01 -0.210640D+01
      2  -0.995495D+01  0.977098D+00  0.136125D+01  0.123699D+00 -0.659081D+01
      3   0.123762D+02 -0.229094D+01  0.305963D+00 -0.219125D+01  0.869722D+01
      4  -0.685156D+01  0.585519D+01 -0.291592D+01  0.368926D+01 -0.413236D+01
      5   0.197069D+02 -0.445796D+01  0.469593D+01 -0.466355D+01  0.132304D+02
      6  -0.899549D+01  0.581286D+01 -0.568945D+01  0.728701D+01 -0.604807D+01
               116           117           118           119           120 
      1   0.165817D+01 -0.715038D+01 -0.316098D+01  0.115141D+02 -0.360111D+01
      2   0.512177D+00 -0.121257D+02  0.906194D+01 -0.205283D+02  0.239190D+01
      3  -0.217034D+01  0.192760D+02 -0.590095D+01  0.901420D+01  0.120921D+01
      4   0.216200D+01 -0.524445D+01 -0.583896D+01  0.118712D+02 -0.307201D+01
      5  -0.413206D+01  0.141786D+02  0.131050D+01 -0.393712D+01  0.231810D+01
      6   0.499352D+01 -0.818950D+01 -0.546933D+01  0.807224D+01 -0.495015D+01
               121           122           123           124           125 
      1   0.673159D+01 -0.309458D+02  0.620214D+01 -0.155068D+01  0.421192D+01
      2  -0.112503D+02  0.557074D+02 -0.814260D+01  0.310588D+00 -0.369803D+01
      3   0.451871D+01 -0.247616D+02  0.194046D+01  0.124009D+01 -0.513888D+00
      4   0.853557D+01 -0.759808D+01  0.634921D+00 -0.166231D+01  0.564102D+00
      5  -0.283282D+01  0.250831D+01 -0.588973D+00  0.210507D+01 -0.604815D+00
      6   0.364699D+01 -0.206044D+02  0.107263D+02 -0.277881D+01  0.109139D+02
               126           127           128           129           130 
      1  -0.531581D+01  0.178952D+02  0.318735D+01 -0.193349D+01  0.140486D+01
      2   0.558438D+01 -0.297974D+01  0.433297D+01  0.905180D+00  0.342386D+01
      3  -0.268566D+00 -0.149154D+02 -0.752031D+01  0.102831D+01 -0.482872D+01
      4  -0.247766D+01  0.301485D+02  0.186451D+02 -0.105406D+02  0.121901D+02
      5   0.109945D+01 -0.183020D+02 -0.852158D+01  0.101586D+02 -0.443798D+01
      6  -0.376776D+01 -0.133199D+02 -0.896255D+01  0.101895D+02 -0.569132D+01
               131           132           133           134           135 
      1  -0.133250D+01  0.834772D+00 -0.178798D+01  0.936941D+00  0.914817D+00
      2   0.826756D+01 -0.334396D+01  0.174995D+01 -0.238040D+01 -0.313076D+01
      3  -0.693506D+01  0.250919D+01  0.380270D-01  0.144346D+01  0.221595D+01
      4   0.100196D+02 -0.490578D+01 -0.842669D+01 -0.568074D+01  0.733495D+01
      5  -0.474173D+01  0.285510D+01  0.102694D+02  0.467367D+01 -0.723368D+01
      6  -0.782588D+01  0.465180D+01  0.849418D+01  0.680647D+01 -0.701557D+01
               136           137           138           139           140 
      1  -0.938888D+00  0.117972D+01 -0.298371D+00  0.202149D+01 -0.285681D+01
      2  -0.406933D+01 -0.127031D+01  0.435104D+01 -0.265092D+01  0.367766D+00
      3   0.500821D+01  0.905985D-01 -0.405267D+01  0.629430D+00  0.248905D+01
      4  -0.109345D+01  0.394560D+01  0.361800D+01  0.156641D+01 -0.235502D+01
      5  -0.485644D+01  0.133782D+01  0.102441D+02 -0.149568D+01 -0.244209D+01
      6   0.233321D+01 -0.225565D+01 -0.263689D+01 -0.149094D+01  0.213888D+01
               141           142           143           144           145 
      1  -0.213931D+00 -0.909340D+00 -0.476887D+01 -0.233160D+02  0.561854D+01
      2   0.525898D+01  0.520477D+01  0.670785D+00 -0.223671D+02  0.573730D+01
      3  -0.504505D+01 -0.429543D+01  0.409808D+01  0.456831D+02 -0.113558D+02
      4  -0.139020D+01  0.354690D+01 -0.254951D+01 -0.639210D+01 -0.166613D+02
      5   0.254646D+01  0.916364D+01 -0.276397D+01 -0.203779D+02 -0.400480D+01
      6   0.492245D+01 -0.380403D+01  0.824476D+01  0.206080D+02  0.369878D+01
               146           147           148           149           150 
      1  -0.241304D-01  0.163241D+01  0.157765D-01 -0.123151D+02 -0.156188D+01
      2  -0.108138D+02 -0.130957D+01 -0.105773D+02  0.341548D+02  0.139604D+01
      3   0.108379D+02 -0.322839D+00  0.105615D+02 -0.218397D+02  0.165839D+00
      4   0.208322D+02  0.283736D+01  0.174193D+02 -0.281179D+02 -0.254997D+01
      5   0.555023D+01  0.374711D+01  0.426462D+01 -0.437881D+01 -0.301808D+01
      6  -0.658601D+01 -0.381162D+01 -0.574523D+01  0.120432D+02  0.630405D+01
               151           152           153           154           155 
      1   0.233232D+01 -0.258706D+00 -0.337048D+01  0.564738D+01 -0.457381D+00
      2   0.739375D+00 -0.522644D+01  0.180340D+01 -0.660563D+00  0.513052D+01
      3  -0.307169D+01  0.548515D+01  0.156708D+01 -0.498682D+01 -0.467314D+01
      4  -0.307804D+01  0.371068D+01 -0.431471D+01  0.157769D+02  0.145074D+02
      5   0.166081D+01 -0.282698D+01 -0.144638D+01  0.135091D+02  0.817901D+01
      6  -0.253637D+01  0.498976D+01  0.211069D+01  0.109539D+02  0.910958D+01
               156           157           158           159           160 
      1   0.115666D+01 -0.179958D+01 -0.565044D+01 -0.390649D+01  0.311604D+00
      2  -0.116494D+01  0.568127D+01  0.114287D+02  0.482520D+01 -0.148825D+01
      3   0.828372D-02 -0.388169D+01 -0.577825D+01 -0.918716D+00  0.117664D+01
      4   0.104874D+02  0.117366D+02  0.130593D+02  0.769824D+01  0.908057D+01
      5   0.116494D+02  0.562140D+01  0.764558D+01  0.557890D+01  0.113184D+02
      6   0.922186D+01  0.768611D+01  0.123686D+02  0.121646D+02  0.934065D+01
               161           162           163           164           165 
      1  -0.437484D+01 -0.570713D+01  0.922309D+01 -0.180906D+01  0.154011D+01
      2   0.335679D+01 -0.174818D+00 -0.936011D+01  0.475383D+01 -0.757216D+01
      3   0.101805D+01  0.588195D+01  0.137020D+00 -0.294477D+01  0.603205D+01
      4   0.833710D+01  0.105288D+02  0.204739D+02  0.119584D+02  0.138767D+02
      5   0.768118D+01  0.130287D+02  0.209856D+02  0.733553D+01  0.177265D+02
      6   0.142487D+02  0.163443D+02  0.140947D+02  0.867451D+01  0.125598D+02
               166           167           168           169           170 
      1  -0.138072D+01 -0.294351D+00 -0.119315D+01  0.162013D+01 -0.228397D+01
      2   0.399617D+01  0.163349D+01  0.177377D+01 -0.743400D+01 -0.904343D-01
      3  -0.261544D+01 -0.133914D+01 -0.580613D+00  0.581387D+01  0.237441D+01
      4   0.668839D+01  0.528542D+01  0.321520D+01  0.119213D+02  0.484497D+01
      5   0.210642D+01  0.396747D+01  0.124957D+01  0.155478D+02  0.479138D+01
      6   0.428813D+01  0.311986D+01  0.561669D+01  0.102462D+02  0.995653D+01
               171           172           173           174           175 
      1  -0.391841D+01 -0.582750D+00  0.662278D-01  0.210919D+00 -0.581899D+00
      2  -0.669319D+01  0.372758D+01  0.439672D+01 -0.245191D+01  0.488073D+01
      3   0.106116D+02 -0.314483D+01 -0.446295D+01  0.224099D+01 -0.429883D+01
      4   0.101746D+02  0.464769D+01  0.898477D+01 -0.149146D+01  0.758059D+01
      5   0.151226D+02  0.405823D+00  0.531913D+00  0.349472D+01  0.264884D+00
      6   0.145923D+02  0.260018D+00 -0.140696D+01  0.189543D+01 -0.134525D+01
               176           177           178           179           180 
      1  -0.139988D+02  0.456490D+01  0.360180D+00  0.880910D+01 -0.374323D+01
      2   0.355706D+02 -0.136304D+02 -0.368174D+01 -0.224510D+02  0.102400D+02
      3  -0.215718D+02  0.906552D+01  0.332156D+01  0.136419D+02 -0.649677D+01
      4   0.965365D+01 -0.403650D+01 -0.407800D+01 -0.746950D+01  0.384829D+01
      5  -0.241537D+01  0.170653D+01  0.256318D+01  0.223861D+01 -0.285961D+01
      6  -0.656919D+01  0.906177D+01  0.150334D+01  0.878649D+01 -0.122653D+02
               181           182           183           184           185 
      1  -0.337100D+01  0.875717D+01  0.837914D+01  0.463436D+01 -0.870237D+01
      2   0.647718D+00 -0.975354D+01 -0.199214D+01 -0.542855D+01  0.105959D+02
      3   0.272328D+01  0.996377D+00 -0.638700D+01  0.794190D+00 -0.189349D+01
      4  -0.138116D+02  0.883304D+01  0.991403D+01  0.641414D+01 -0.685820D+01
      5  -0.954603D+01  0.547864D+01  0.888336D+01  0.298661D+01 -0.459706D+01
      6   0.116933D+02 -0.124976D+02 -0.126902D+02 -0.695165D+01  0.989237D+01
               186           187           188           189           190 
      1  -0.615831D+01  0.531743D+01 -0.862837D+01 -0.123137D+02  0.686395D+01
      2   0.389818D+01 -0.844989D+00  0.406610D+01  0.105503D+01 -0.578022D+01
      3   0.226014D+01 -0.447244D+01  0.456227D+01  0.112586D+02 -0.108372D+01
      4  -0.495824D+01  0.890596D+01 -0.519004D+01 -0.621522D+01  0.366633D+01
      5  -0.247497D+01  0.800680D+01 -0.288211D+01 -0.587316D+01 -0.621469D+01
      6   0.105267D+02 -0.797610D+01  0.145338D+02  0.178084D+02 -0.759073D+00
               191           192           193           194           195 
      1   0.415699D+01 -0.432875D+01  0.841693D+01 -0.152623D-02 -0.125204D+01
      2  -0.279333D+01  0.467373D+01 -0.544508D+01  0.613683D+00  0.289752D+01
      3  -0.136366D+01 -0.344975D+00 -0.297185D+01 -0.612157D+00 -0.164549D+01
      4   0.290036D+01 -0.219323D+01  0.353034D+01  0.362866D+01 -0.620643D+01
      5  -0.297815D+01  0.107229D+02 -0.377937D+01 -0.624182D+01  0.891324D+01
      6  -0.559010D+00 -0.952259D-01 -0.544687D+00 -0.166571D+01  0.239502D+01
               196           197           198           199           200 
      1  -0.908542D+01  0.192817D+00  0.434963D+01  0.646955D+01 -0.554772D+01
      2   0.735685D+01  0.237949D+01 -0.122896D+02 -0.175695D+00  0.165828D+00
      3   0.172857D+01 -0.257230D+01  0.793996D+01 -0.629385D+01  0.538189D+01
      4  -0.758611D+00 -0.733470D+01  0.642009D+01 -0.869118D+01  0.117230D+02
      5   0.145387D+02  0.752935D+01 -0.252967D+02  0.822400D-01  0.266074D+01
      6  -0.933364D+00  0.307255D+01  0.589816D+00  0.119441D+01 -0.143190D+01
               201           202           203           204           205 
      1   0.120400D+01 -0.967397D+01 -0.299703D+01  0.542904D+00  0.189588D+01
      2  -0.879790D+00 -0.165714D+01  0.208835D+02  0.167466D+01 -0.134731D+01
      3  -0.324211D+00  0.113311D+02 -0.178864D+02 -0.221756D+01 -0.548567D+00
      4   0.226339D+01  0.201905D+02 -0.383212D+02 -0.575913D+01  0.290981D+01
      5   0.315527D+01  0.399856D+01 -0.526892D+01 -0.544704D+01  0.539540D+01
      6  -0.974450D+00 -0.245981D+01  0.737385D+01  0.623653D+01 -0.236514D+01
               206           207           208           209           210 
      1   0.222594D+00  0.724406D+00  0.508829D+02  0.637825D+01  0.165592D+02
      2   0.140723D+01  0.446536D+00 -0.275332D+02 -0.384660D+01 -0.976809D+01
      3  -0.162982D+01 -0.117094D+01 -0.233497D+02 -0.253165D+01 -0.679106D+01
      4  -0.514280D+01 -0.438234D+01  0.294070D+01  0.773099D+01  0.922680D+00
      5  -0.453533D+01 -0.366383D+01  0.192444D+02  0.207992D+01  0.134951D+02
      6   0.600224D+01  0.232071D+01 -0.182908D+01  0.586159D+00 -0.122249D+01
               211           212           213           214           215 
      1   0.139757D+02  0.617913D+01  0.337188D+01  0.275979D+02  0.208574D+01
      2  -0.807540D+01 -0.166219D+01 -0.190115D+01 -0.162375D+02 -0.123621D+01
      3  -0.590029D+01 -0.451694D+01 -0.147073D+01 -0.113604D+02 -0.849534D+00
      4   0.101393D+02  0.217747D+01  0.335042D+01  0.585151D+00  0.520315D+01
      5   0.491078D+01  0.320484D+01  0.564424D+01  0.193206D+02  0.358937D+01
      6   0.112489D+01  0.139795D+01  0.154324D+01 -0.125116D+01  0.163930D+01
               216           217           218           219           220 
      1   0.125388D+02 -0.499977D+01 -0.364064D+01  0.102119D+02 -0.122775D+01
      2  -0.106341D+02 -0.441022D+01  0.104070D+01  0.343073D+01  0.178454D-01
      3  -0.190464D+01  0.940999D+01  0.259994D+01 -0.136426D+02  0.120991D+01
      4   0.269169D+01  0.957219D+01  0.233037D+01 -0.482687D+01  0.227025D+01
      5   0.156805D+02 -0.163702D+02 -0.271340D+00  0.101073D+02  0.201859D+00
      6  -0.130226D+01 -0.362922D+01 -0.635407D+01  0.803589D+01 -0.360121D+01
               221           222           223           224           225 
      1  -0.270954D+01  0.781556D+00  0.677806D+01  0.137140D+01 -0.895824D+01
      2   0.302503D+01 -0.225601D+01  0.244113D+01 -0.526965D+00 -0.763101D+01
      3  -0.315489D+00  0.147446D+01 -0.921919D+01 -0.844439D+00  0.165892D+02
      4   0.274373D+00 -0.121701D+01 -0.416709D+01 -0.146072D+01  0.396355D+01
      5  -0.253046D+01  0.243006D+01  0.983180D+01  0.150556D+01 -0.626635D+01
      6  -0.260168D+01  0.287888D+01  0.405195D+01  0.326049D+01 -0.552878D+01
               226           227           228           229           230 
      1   0.813817D+01  0.195007D+01  0.165770D+01  0.292131D+01 -0.355066D+00
      2  -0.169676D+02 -0.323384D+01 -0.169692D+02 -0.622271D+01 -0.711522D+00
      3   0.882947D+01  0.128377D+01  0.153115D+02  0.330139D+01  0.106659D+01
      4  -0.393017D+01  0.385688D+01 -0.455098D+01  0.252233D+01  0.128692D+00
      5   0.230849D+02  0.979010D+00  0.246841D+02  0.663514D+01  0.498525D+01
      6  -0.203419D+01  0.547110D+01 -0.357575D+01  0.402306D+01  0.168134D+01
               231           232           233           234           235 
      1  -0.168969D+01  0.108793D+01 -0.856827D-01 -0.709696D+01 -0.134148D+00
      2  -0.760996D+01 -0.141537D+02 -0.243847D+01 -0.242211D+02  0.219322D+01
      3   0.929965D+01  0.130657D+02  0.252416D+01  0.313181D+02 -0.205907D+01
      4   0.226029D+01 -0.374264D+01  0.208460D+01 -0.284914D+01 -0.506422D+01
      5   0.769726D+01  0.203108D+02  0.160429D+01  0.266944D+02  0.246626D+01
      6   0.407988D+01 -0.225035D+01  0.468852D+01 -0.440975D+01 -0.371425D+01
               236           237           238           239           240 
      1  -0.922119D+00 -0.205548D+00 -0.941987D-01 -0.180413D+02  0.483507D+01
      2  -0.418695D+01 -0.172361D+01 -0.557515D+01  0.389186D+02 -0.176542D+01
      3   0.510906D+01  0.192915D+01  0.566935D+01 -0.208773D+02 -0.306965D+01
      4   0.925402D+01 -0.183311D+01  0.987504D+01 -0.194628D+02  0.292733D+01
      5  -0.359638D+01  0.473517D+01 -0.412756D+01  0.564232D+01 -0.290109D+01
      6   0.417187D+01 -0.167548D+01  0.533068D+01 -0.259718D+02  0.100733D+02
               241           242           243 
      1  -0.730011D+00  0.766936D+00 -0.949232D+00
      2  -0.183565D+01  0.356664D+01  0.214473D+01
      3   0.256567D+01 -0.433358D+01 -0.119550D+01
      4   0.778757D+00 -0.168950D+01 -0.184732D+01
      5   0.272658D+01 -0.723808D+00  0.101371D+01
      6  -0.766367D+00  0.432650D+01 -0.775856D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.119406D+01      0.303501D+01      0.101237D+02
   y          0.361083D+00      0.917782D+00      0.306139D+01
   z         -0.572722D-01     -0.145571D+00     -0.485574D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.114673D+03      0.169928D+02      0.189071D+02
   yx         0.741876D+00      0.109935D+00      0.122319D+00
   yy         0.111152D+03      0.164711D+02      0.183266D+02
   zx        -0.758278D-01     -0.112365D-01     -0.125023D-01
   zy         0.127064D+01      0.188290D+00      0.209500D+00
   zz         0.107424D+03      0.159186D+02      0.177118D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114632D+03      0.169867D+02      0.189002D+02
   aniso      0.804626D+01      0.119233D+01      0.132665D+01
   xx         0.119215D+03      0.176658D+02      0.196559D+02
   yx         0.956351D+00      0.141717D+00      0.157681D+00
   yy         0.114217D+03      0.169253D+02      0.188319D+02
   zx        -0.591270D-01     -0.876172D-02     -0.974873D-02
   zy         0.117612D+01      0.174283D+00      0.193916D+00
   zz         0.110463D+03      0.163689D+02      0.182128D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.55440022         -1.17173471          1.46637180
     6          1.24713593         -0.40281855         -0.74703837
     6          2.61574463          1.95369828          0.37119695
     6          0.61118167          3.20421283          2.11301033
     6         -1.72790882          1.51709188          1.71388342
     6         -0.64851552          0.75767177         -2.59136653
     6         -2.67770388          2.04378602         -0.97888926
     6          2.96269757         -2.37144722         -1.89400782
     8         -0.55861599          0.69570881         -4.86420062
     6          0.81723188         -2.06481574          3.84584418
     6         -2.45868432         -3.22133534          0.72414468
     1          4.27649071          1.34110061          1.42471294
     1          3.28137911          3.20941930         -1.12036676
     1          0.22713334          5.15972960          1.59196226
     1          1.21840752          3.21039407          4.07944558
     1         -4.51226610          1.19815270         -1.38517635
     1         -2.81080301          4.04784575         -1.44331081
     1         -3.16957693          1.69960168          3.17277441
     1          4.00883928         -1.57506098         -3.48141387
     1          1.88647425         -3.97428452         -2.61650711
     1          4.32140922         -3.06823164         -0.50746853
     1          2.27154457         -0.76486114          4.49357797
     1          1.71470381         -3.89260491          3.51756908
     1         -0.53462285         -2.30896400          5.38737421
     1         -3.40765854         -2.85339603         -1.06519045
     1         -3.90895316         -3.41456202          2.18009863
     1         -1.51424252         -5.04581279          0.54663261

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124878D+01      0.317408D+01      0.105876D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.108442D+03      0.160694D+02      0.178797D+02
   yx        -0.200503D+01     -0.297115D+00     -0.330585D+00
   yy         0.110061D+03      0.163093D+02      0.181466D+02
   zx        -0.484440D+00     -0.717866D-01     -0.798734D-01
   zy        -0.579415D+00     -0.858605D-01     -0.955326D-01
   zz         0.114747D+03      0.170037D+02      0.189192D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114632D+03      0.169867D+02      0.189002D+02
   aniso      0.804626D+01      0.119233D+01      0.132665D+01
   xx         0.111426D+03      0.165117D+02      0.183717D+02
   yx        -0.192507D+01     -0.285267D+00     -0.317402D+00
   yy         0.113187D+03      0.167726D+02      0.186620D+02
   zx        -0.473905D+00     -0.702255D-01     -0.781365D-01
   zy        -0.812225D+00     -0.120359D+00     -0.133918D+00
   zz         0.119281D+03      0.176757D+02      0.196669D+02

 ----------------------------------------------------------------------
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 BETTER TO HUNT IN FIELDS, FOR HEALTH UNBOUGHT
 THAN FEE THE DOCTOR FOR A NAUSEOUS DRAUGHT.
 THE WISE, FOR CURE, ON EXERCISE DEPEND;
 GOD NEVER MADE HIS WORK FOR MAN TO MEND.
     -- JOHN DRYDEN (1631-1700)
 Job cpu time:       0 days  6 hours 10 minutes 43.9 seconds.
 Elapsed time:       0 days  0 hours 30 minutes 58.9 seconds.
 File lengths (MBytes):  RWF=    391 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:05:27 2021.
